5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C13H10F2N2O3S — CID 79397486

IUPAC5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)c2cc(F)ccc2F)c1C(=O)O
InChIInChI=1S/C13H10F2N2O3S/c1-6-10(13(19)20)12(21-16-6)17(2)11(18)8-5-7(14)3-4-9(8)15/h3-5H,1-2H3,(H,19,20)
InChIKeyRYVFILQZYYYTBR-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.70
Rot. Bonds3

About 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79397486) has the molecular formula C13H10F2N2O3S and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79397486
Molecular FormulaC13H10F2N2O3S
Molecular Weight312.30 g/mol
Exact Mass312.04
IUPAC Name5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)c2cc(F)ccc2F)c1C(=O)O
InChIInChI=1S/C13H10F2N2O3S/c1-6-10(13(19)20)12(21-16-6)17(2)11(18)8-5-7(14)3-4-9(8)15/h3-5H,1-2H3,(H,19,20)
InChIKeyRYVFILQZYYYTBR-UHFFFAOYSA-N
XLogP2.70
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2,5-difluorobenzoyl)-methylamino]-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-[(2,5-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397341
5-[(2,4-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397478
5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397367
5-[(5-bromo-2-chlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397515
5-[[2-(4-chlorophenyl)acetyl]-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397342
3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402389
5-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397625
3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402237
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 102810255
5-[(3-cyanobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397222
3-methyl-5-[methyl-(5-nitro-1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79397357
3-methyl-5-[methyl-(2-methyl-2-methylsulfonylpropanoyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402092

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79397486) is 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)C(=O)c2cc(F)ccc2F)c1C(=O)O.
What is the InChIKey of 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is RYVFILQZYYYTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3S/c1-6-10(13(19)20)12(21-16-6)17(2)11(18)8-5-7(14)3-4-9(8)15/h3-5H,1-2H3,(H,19,20).
What are the key properties of 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 312.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79397486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).