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

C14H13FN2O3S — CID 94970334

IUPAC2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)c2cccc(F)c2)sc1C(=O)O
InChIInChI=1S/C14H13FN2O3S/c1-7(2)10-11(13(19)20)21-14(16-10)17-12(18)8-4-3-5-9(15)6-8/h3-7H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyISFURHINTIUZEM-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.36
Rot. Bonds4

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

2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 94970334) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID94970334
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)c2cccc(F)c2)sc1C(=O)O
InChIInChI=1S/C14H13FN2O3S/c1-7(2)10-11(13(19)20)21-14(16-10)17-12(18)8-4-3-5-9(15)6-8/h3-7H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyISFURHINTIUZEM-UHFFFAOYSA-N
XLogP3.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94970466
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434
2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226441
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
ethyl 2-amino-3-[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]-3-oxopropanoate
CID 89313136
2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226440
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
CID 3193169
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 53269170
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 94970334) is 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(NC(=O)c2cccc(F)c2)sc1C(=O)O.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ISFURHINTIUZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-7(2)10-11(13(19)20)21-14(16-10)17-12(18)8-4-3-5-9(15)6-8/h3-7H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).