4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid

C13H11FN2O4S — CID 94970415

IUPAC4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCOCC(=O)Nc1nc(-c2cccc(F)c2)c(C(=O)O)s1
InChIInChI=1S/C13H11FN2O4S/c1-20-6-9(17)15-13-16-10(11(21-13)12(18)19)7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,18,19)(H,15,16,17)
InChIKeySXJVKWNXAZQFRG-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.23
Rot. Bonds5

About 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid

4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 94970415) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID94970415
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCOCC(=O)Nc1nc(-c2cccc(F)c2)c(C(=O)O)s1
InChIInChI=1S/C13H11FN2O4S/c1-20-6-9(17)15-13-16-10(11(21-13)12(18)19)7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,18,19)(H,15,16,17)
InChIKeySXJVKWNXAZQFRG-UHFFFAOYSA-N
XLogP2.23
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226599
2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226534
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333
2-(butanoylamino)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 94970416
2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94970466
2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 94970430
4-(3,4-dimethylphenyl)-2-(propanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226567
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
5-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 25262202
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7597186

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid (CID 94970415) is 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid is COCC(=O)Nc1nc(-c2cccc(F)c2)c(C(=O)O)s1.
What is the InChIKey of 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is SXJVKWNXAZQFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-20-6-9(17)15-13-16-10(11(21-13)12(18)19)7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid?
4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).