AB59370
21278-86-4 | 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB59370
ChemicalName
2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CasNumber
21278-86-4
MolecularFormula
C9H6N2O2S
MolecularWeight
206.2211
MdlNumber
MFCD00171745
Smiles
OC(=O)c1csc(n1)c1ccncc1
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB59370
ChemicalName: 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CasNumber: 21278-86-4
MolecularFormula: C9H6N2O2S
MolecularWeight: 206.2211
MdlNumber: MFCD00171745
Smiles: OC(=O)c1csc(n1)c1ccncc1
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB59370
ChemicalName:
2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CasNumber:
21278-86-4
MolecularFormula:
C9H6N2O2S
MolecularWeight:
206.2211
MdlNumber:
MFCD00171745
Smiles:
OC(=O)c1csc(n1)c1ccncc1
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1cccnc1N1CCCC1
Complexity: 340
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1cccnc1N1CCCC1
Complexity:
340
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(C1N=C(C(S1)C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(C1N=C(C(S1)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#C/C(=N/OC(=O)OC(C)(C)C)/c1ccccc1
Complexity: 367
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#C/C(=N/OC(=O)OC(C)(C)C)/c1ccccc1
Complexity:
367
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3