2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid

C13H11FN2O3S — CID 43442748

IUPAC2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
SMILESCc1nc(CC(=O)Nc2cccc(F)c2C(=O)O)cs1
InChIInChI=1S/C13H11FN2O3S/c1-7-15-8(6-20-7)5-11(17)16-10-4-2-3-9(14)12(10)13(18)19/h2-4,6H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeySDUKUZSXZJJECW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.47
Rot. Bonds4

About 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid

2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid (PubChem CID 43442748) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
PubChem CID43442748
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
SMILESCc1nc(CC(=O)Nc2cccc(F)c2C(=O)O)cs1
InChIInChI=1S/C13H11FN2O3S/c1-7-15-8(6-20-7)5-11(17)16-10-4-2-3-9(14)12(10)13(18)19/h2-4,6H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeySDUKUZSXZJJECW-UHFFFAOYSA-N
XLogP2.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31507606
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
2-methyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880336
2-fluoro-6-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 43442825
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642384
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
N-(1H-indol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110473029
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid (CID 43442748) is 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid is Cc1nc(CC(=O)Nc2cccc(F)c2C(=O)O)cs1.
What is the InChIKey of 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid?
The InChIKey is SDUKUZSXZJJECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-7-15-8(6-20-7)5-11(17)16-10-4-2-3-9(14)12(10)13(18)19/h2-4,6H,5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid?
2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43442748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).