AB49806
144060-53-7 | 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49806
ChemicalName
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CasNumber
144060-53-7
MolecularFormula
C16H16N2O3S
MolecularWeight
316.3748
MdlNumber
MFCD00871598
Smiles
N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C
NscNumber
758874
Complexity
448
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.9
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CatalogNumber: AB49806
ChemicalName: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CasNumber: 144060-53-7
MolecularFormula: C16H16N2O3S
MolecularWeight: 316.3748
MdlNumber: MFCD00871598
Smiles: N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C
NscNumber: 758874
Complexity: 448
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.9
CatalogNumber:
AB49806
ChemicalName:
2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CasNumber:
144060-53-7
MolecularFormula:
C16H16N2O3S
MolecularWeight:
316.3748
MdlNumber:
MFCD00871598
Smiles:
N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C
NscNumber:
758874
Complexity:
448
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.9
CatalogNumber: AB49807
ChemicalName: 1-(Hydroxymethyl)cyclopropaneacetonitrile
CasNumber: 152922-71-9
MolecularFormula: C6H9NO
MolecularWeight: 111.1418
MdlNumber: MFCD08235273
Smiles: OCC1(CC1)CC#N
NscNumber: __
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AB49807
ChemicalName:
1-(Hydroxymethyl)cyclopropaneacetonitrile
CasNumber:
152922-71-9
MolecularFormula:
C6H9NO
MolecularWeight:
111.1418
MdlNumber:
MFCD08235273
Smiles:
OCC1(CC1)CC#N
NscNumber:
__
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: AB49808
ChemicalName: 2,6-Dichloro-5-fluoropyridin-3-amine
CasNumber: 152840-65-8
MolecularFormula: C5H3Cl2FN2
MolecularWeight: 180.9951
MdlNumber: MFCD11044255
Smiles: Nc1cc(F)c(nc1Cl)Cl
NscNumber: __
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB49808
ChemicalName:
2,6-Dichloro-5-fluoropyridin-3-amine
CasNumber:
152840-65-8
MolecularFormula:
C5H3Cl2FN2
MolecularWeight:
180.9951
MdlNumber:
MFCD11044255
Smiles:
Nc1cc(F)c(nc1Cl)Cl
NscNumber:
__
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AB49809
ChemicalName: 2-Chloro-4-methylthiazole
CasNumber: 26847-01-8
MolecularFormula: C4H4ClNS
MolecularWeight: 133.5993
MdlNumber: MFCD00051033
Smiles: Cc1csc(n1)Cl
NscNumber: __
Complexity: 68.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AB49809
ChemicalName:
2-Chloro-4-methylthiazole
CasNumber:
26847-01-8
MolecularFormula:
C4H4ClNS
MolecularWeight:
133.5993
MdlNumber:
MFCD00051033
Smiles:
Cc1csc(n1)Cl
NscNumber:
__
Complexity:
68.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3