AC51515
72850-76-1 | Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC51515
ChemicalName
Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CasNumber
72850-76-1
MolecularFormula
C9H14N2O2S
MolecularWeight
214.2847
MdlNumber
MFCD01924808
Smiles
CCOC(=O)c1sc(nc1C(C)C)N
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AC51515
ChemicalName: Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CasNumber: 72850-76-1
MolecularFormula: C9H14N2O2S
MolecularWeight: 214.2847
MdlNumber: MFCD01924808
Smiles: CCOC(=O)c1sc(nc1C(C)C)N
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AC51515
ChemicalName:
Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CasNumber:
72850-76-1
MolecularFormula:
C9H14N2O2S
MolecularWeight:
214.2847
MdlNumber:
MFCD01924808
Smiles:
CCOC(=O)c1sc(nc1C(C)C)N
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: AC51516
ChemicalName: 2-Chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid phenylmethyl ester
CasNumber: 72850-64-7
MolecularFormula: C12H7ClF3NO2S
MolecularWeight: 321.7027
MdlNumber: MFCD00072459
Smiles: Clc1nc(c(s1)C(=O)OCc1ccccc1)C(F)(F)F
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 4.5
CatalogNumber:
AC51516
ChemicalName:
2-Chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid phenylmethyl ester
CasNumber:
72850-64-7
MolecularFormula:
C12H7ClF3NO2S
MolecularWeight:
321.7027
MdlNumber:
MFCD00072459
Smiles:
Clc1nc(c(s1)C(=O)OCc1ccccc1)C(F)(F)F
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCCCCCCCCCCCCCCC(=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCCCCCCCCCCCCCCC(=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](N)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: 155
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](N)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
155
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-2.8