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

C12H8F2N2O3S — CID 65200000

IUPAC2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
SMILESCc1nc(C(=O)Nc2cc(C(=O)O)c(F)cc2F)cs1
InChIInChI=1S/C12H8F2N2O3S/c1-5-15-10(4-20-5)11(17)16-9-2-6(12(18)19)7(13)3-8(9)14/h2-4H,1H3,(H,16,17)(H,18,19)
InChIKeyIOWDDAVBDLFQQP-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.68
Rot. Bonds3

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

2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid (PubChem CID 65200000) has the molecular formula C12H8F2N2O3S and a molecular weight of 298.27 g/mol. Its IUPAC name is 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
PubChem CID65200000
Molecular FormulaC12H8F2N2O3S
Molecular Weight298.27 g/mol
Exact Mass298.02
IUPAC Name2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
SMILESCc1nc(C(=O)Nc2cc(C(=O)O)c(F)cc2F)cs1
InChIInChI=1S/C12H8F2N2O3S/c1-5-15-10(4-20-5)11(17)16-9-2-6(12(18)19)7(13)3-8(9)14/h2-4H,1H3,(H,16,17)(H,18,19)
InChIKeyIOWDDAVBDLFQQP-UHFFFAOYSA-N
XLogP2.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65199858
N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47450900
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-4-nitrobenzoic acid
CID 65199661
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199378
3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 65199816
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2,4-difluorobenzoic acid
CID 60748340
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
5-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-2,4-difluorobenzoic acid
CID 60828597
5-[(2,2-difluoroacetyl)amino]-2,4-difluorobenzoic acid
CID 103513190
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65199742
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid (CID 65200000) is 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid is Cc1nc(C(=O)Nc2cc(C(=O)O)c(F)cc2F)cs1.
What is the InChIKey of 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
The InChIKey is IOWDDAVBDLFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3S/c1-5-15-10(4-20-5)11(17)16-9-2-6(12(18)19)7(13)3-8(9)14/h2-4H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid?
2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid has a molecular weight of 298.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 65200000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).