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

C12H8BrFN2O3S — CID 107949033

IUPAC5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)c2cccc(Br)c2F)c1C(=O)O
InChIInChI=1S/C12H8BrFN2O3S/c1-5-8(12(18)19)11(20-16-5)15-10(17)6-3-2-4-7(13)9(6)14/h2-4H,1H3,(H,15,17)(H,18,19)
InChIKeyNVVBWTPVTMCBSY-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.30
Rot. Bonds3

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

5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 107949033) has the molecular formula C12H8BrFN2O3S and a molecular weight of 359.18 g/mol. Its IUPAC name is 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID107949033
Molecular FormulaC12H8BrFN2O3S
Molecular Weight359.18 g/mol
Exact Mass357.94
IUPAC Name5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)c2cccc(Br)c2F)c1C(=O)O
InChIInChI=1S/C12H8BrFN2O3S/c1-5-8(12(18)19)11(20-16-5)15-10(17)6-3-2-4-7(13)9(6)14/h2-4H,1H3,(H,15,17)(H,18,19)
InChIKeyNVVBWTPVTMCBSY-UHFFFAOYSA-N
XLogP3.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870770
5-[(3-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868992
5-[(3,5-dibromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107971278
3-methyl-5-[(4-methylbenzoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 60871159
5-[(3-bromo-4-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107997772
5-[(3-amino-4-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107813189
5-[(4-bromo-3-chlorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81290340
5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869940
5-[(2-amino-5-methoxybenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 115413519
5-[[2-(2-fluorophenyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60871549
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 107949033) is 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)c2cccc(Br)c2F)c1C(=O)O.
What is the InChIKey of 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is NVVBWTPVTMCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O3S/c1-5-8(12(18)19)11(20-16-5)15-10(17)6-3-2-4-7(13)9(6)14/h2-4H,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 359.18 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-fluorobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 107949033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).