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

C13H11FN2O4S — CID 43358586

IUPAC4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
SMILESCc1csc(=O)n1CC(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H11FN2O4S/c1-7-6-21-13(20)16(7)5-11(17)15-10-4-8(14)2-3-9(10)12(18)19/h2-4,6H,5H2,1H3,(H,15,17)(H,18,19)
InChIKeyZMYKDCBGVQDGTB-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.69
Rot. Bonds4

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

4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid (PubChem CID 43358586) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
PubChem CID43358586
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
SMILESCc1csc(=O)n1CC(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H11FN2O4S/c1-7-6-21-13(20)16(7)5-11(17)15-10-4-8(14)2-3-9(10)12(18)19/h2-4,6H,5H2,1H3,(H,15,17)(H,18,19)
InChIKeyZMYKDCBGVQDGTB-UHFFFAOYSA-N
XLogP1.69
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid with MolForge

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358105
4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43132376
N-(3-acetamido-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86920042
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
4-fluoro-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61157031
4-fluoro-2-[(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61157931
N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 78830947
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498551
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289704
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid (CID 43358586) is 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid is Cc1csc(=O)n1CC(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid?
The InChIKey is ZMYKDCBGVQDGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-7-6-21-13(20)16(7)5-11(17)15-10-4-8(14)2-3-9(10)12(18)19/h2-4,6H,5H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid?
4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid has a molecular weight of 310.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43358586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).