2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid

C13H12N2O3S — CID 82058764

IUPAC2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCc1nc(NC(=O)c2ccccc2)sc1CC(=O)O
InChIInChI=1S/C13H12N2O3S/c1-8-10(7-11(16)17)19-13(14-8)15-12(18)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyZZEOSXOYGLAAGK-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.33
Rot. Bonds4

About 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid

2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82058764) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
PubChem CID82058764
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCc1nc(NC(=O)c2ccccc2)sc1CC(=O)O
InChIInChI=1S/C13H12N2O3S/c1-8-10(7-11(16)17)19-13(14-8)15-12(18)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyZZEOSXOYGLAAGK-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200223
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836440

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid (CID 82058764) is 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid is Cc1nc(NC(=O)c2ccccc2)sc1CC(=O)O.
What is the InChIKey of 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is ZZEOSXOYGLAAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-10(7-11(16)17)19-13(14-8)15-12(18)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid?
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 276.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82058764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).