4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid

C14H11FN2O3S — CID 94970365

IUPAC4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(Nc1nc(C2CC2)c(C(=O)O)s1)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3S/c15-9-5-3-8(4-6-9)12(18)17-14-16-10(7-1-2-7)11(21-14)13(19)20/h3-7H,1-2H2,(H,19,20)(H,16,17,18)
InChIKeyPZXXVQCCCYHOPL-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.11
Rot. Bonds4

About 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 94970365) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID94970365
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(Nc1nc(C2CC2)c(C(=O)O)s1)c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3S/c15-9-5-3-8(4-6-9)12(18)17-14-16-10(7-1-2-7)11(21-14)13(19)20/h3-7H,1-2H2,(H,19,20)(H,16,17,18)
InChIKeyPZXXVQCCCYHOPL-UHFFFAOYSA-N
XLogP3.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 82226493
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947312
2-[(4-fluorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947198
4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970372
1-[2-[(4-fluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16947324
N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 87544536
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
2-[(4-fluorobenzoyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947239
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
2-[(4-fluorobenzoyl)amino]-N-(3-phenylpropyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947230
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid (CID 94970365) is 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid is O=C(Nc1nc(C2CC2)c(C(=O)O)s1)c1ccc(F)cc1.
What is the InChIKey of 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is PZXXVQCCCYHOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-9-5-3-8(4-6-9)12(18)17-14-16-10(7-1-2-7)11(21-14)13(19)20/h3-7H,1-2H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(4-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).