2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid

C12H9FN2O3S — CID 89410381

IUPAC2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H9FN2O3S/c1-6(16)14-12-15-9(11(17)18)10(19-12)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyMOYNAPLDOYDRMD-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.61
Rot. Bonds3

About 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid

2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 89410381) has the molecular formula C12H9FN2O3S and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID89410381
Molecular FormulaC12H9FN2O3S
Molecular Weight280.28 g/mol
Exact Mass280.03
IUPAC Name2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)O)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H9FN2O3S/c1-6(16)14-12-15-9(11(17)18)10(19-12)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)(H,14,15,16)
InChIKeyMOYNAPLDOYDRMD-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-amino-4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 82342305
5-(4-fluorophenyl)-2-(2-hydroxyethyl)-1,3-thiazole-4-carboxylic acid
CID 90337834
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82161324
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 126062830
2-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510760
methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67262561
2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2783009
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
2-(butanoylamino)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 94970416

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 89410381) is 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid is CC(=O)Nc1nc(C(=O)O)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is MOYNAPLDOYDRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3S/c1-6(16)14-12-15-9(11(17)18)10(19-12)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 89410381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).