2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid

C12H12N2O5S2 — CID 81264880

IUPAC2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(S(=O)(=O)NCc2nc(C(=O)O)cs2)c1
InChIInChI=1S/C12H12N2O5S2/c1-19-8-3-2-4-9(5-8)21(17,18)13-6-11-14-10(7-20-11)12(15)16/h2-5,7,13H,6H2,1H3,(H,15,16)
InChIKeyXJVQZZDHSHELBV-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.33
Rot. Bonds6

About 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 81264880) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID81264880
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(S(=O)(=O)NCc2nc(C(=O)O)cs2)c1
InChIInChI=1S/C12H12N2O5S2/c1-19-8-3-2-4-9(5-8)21(17,18)13-6-11-14-10(7-20-11)12(15)16/h2-5,7,13H,6H2,1H3,(H,15,16)
InChIKeyXJVQZZDHSHELBV-UHFFFAOYSA-N
XLogP1.33
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379320
2-[[(3-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379524
2-[[(1-methyl-2,3-dihydroindol-6-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 146128106
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
2-[[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245016
6-[(3-methoxyphenyl)sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903815
2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210
4-[(3-methoxyphenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid
CID 43664542
2-[[(2-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379328
2-[2-[(3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 81264697
2-[[(2-bromo-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380269
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid (CID 81264880) is 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is COc1cccc(S(=O)(=O)NCc2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XJVQZZDHSHELBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-19-8-3-2-4-9(5-8)21(17,18)13-6-11-14-10(7-20-11)12(15)16/h2-5,7,13H,6H2,1H3,(H,15,16).
What are the key properties of 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 81264880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).