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

C14H14N2O4S — CID 43132376

IUPAC4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C14H14N2O4S/c1-8-3-4-10(13(18)19)5-11(8)15-12(17)6-16-9(2)7-21-14(16)20/h3-5,7H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBGLPRTQTIVIRBP-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.86
Rot. Bonds4

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

4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid (PubChem CID 43132376) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
PubChem CID43132376
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C14H14N2O4S/c1-8-3-4-10(13(18)19)5-11(8)15-12(17)6-16-9(2)7-21-14(16)20/h3-5,7H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBGLPRTQTIVIRBP-UHFFFAOYSA-N
XLogP1.86
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358105
4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939
4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43358586
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 9192131
N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
N-ethyl-4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 87005139
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 78832417
4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43355938
4-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834626
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid (CID 43132376) is 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid?
The InChIKey is BGLPRTQTIVIRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-3-4-10(13(18)19)5-11(8)15-12(17)6-16-9(2)7-21-14(16)20/h3-5,7H,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid?
4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43132376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).