2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid

C12H7F2NO3S — CID 87368597

IUPAC2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid
SMILESCc1c(F)c(C(=O)O)cc(C(=O)c2nccs2)c1F
InChIInChI=1S/C12H7F2NO3S/c1-5-8(13)6(4-7(9(5)14)12(17)18)10(16)11-15-2-3-19-11/h2-4H,1H3,(H,17,18)
InChIKeyDUIMMFBOZLGDQL-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.66
Rot. Bonds3

About 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid

2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid (PubChem CID 87368597) has the molecular formula C12H7F2NO3S and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid
PubChem CID87368597
Molecular FormulaC12H7F2NO3S
Molecular Weight283.25 g/mol
Exact Mass283.01
IUPAC Name2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid
SMILESCc1c(F)c(C(=O)O)cc(C(=O)c2nccs2)c1F
InChIInChI=1S/C12H7F2NO3S/c1-5-8(13)6(4-7(9(5)14)12(17)18)10(16)11-15-2-3-19-11/h2-4H,1H3,(H,17,18)
InChIKeyDUIMMFBOZLGDQL-UHFFFAOYSA-N
XLogP2.66
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid?
The IUPAC name of 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid (CID 87368597) is 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid.
What is the SMILES notation for 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid?
The canonical SMILES for 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid is Cc1c(F)c(C(=O)O)cc(C(=O)c2nccs2)c1F.
What is the InChIKey of 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid?
The InChIKey is DUIMMFBOZLGDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO3S/c1-5-8(13)6(4-7(9(5)14)12(17)18)10(16)11-15-2-3-19-11/h2-4H,1H3,(H,17,18).
What are the key properties of 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid?
2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid has a molecular weight of 283.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid is sourced from PubChem (CID 87368597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).