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

C13H12N2O3S — CID 104601339

IUPAC2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
SMILESCc1csc(NC(=O)Cc2ccccc2C(=O)O)n1
InChIInChI=1S/C13H12N2O3S/c1-8-7-19-13(14-8)15-11(16)6-9-4-2-3-5-10(9)12(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyBJWBNVANPQUGIU-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.33
Rot. Bonds4

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

2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid (PubChem CID 104601339) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
PubChem CID104601339
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
SMILESCc1csc(NC(=O)Cc2ccccc2C(=O)O)n1
InChIInChI=1S/C13H12N2O3S/c1-8-7-19-13(14-8)15-11(16)6-9-4-2-3-5-10(9)12(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyBJWBNVANPQUGIU-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

N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51185664
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 33268113
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 74654559
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26362259
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid (CID 104601339) is 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid is Cc1csc(NC(=O)Cc2ccccc2C(=O)O)n1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is BJWBNVANPQUGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-7-19-13(14-8)15-11(16)6-9-4-2-3-5-10(9)12(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid?
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic 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-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 104601339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).