2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide

C13H14N2O5S2 — CID 146154055

IUPAC2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NS(C)(=O)=O)cs2)c1OC
InChIInChI=1S/C13H14N2O5S2/c1-19-10-6-4-5-8(11(10)20-2)13-14-9(7-21-13)12(16)15-22(3,17)18/h4-7H,1-3H3,(H,15,16)
InChIKeyMAKAJTVIMVMHPU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.52
Rot. Bonds5

About 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide

2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 146154055) has the molecular formula C13H14N2O5S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
PubChem CID146154055
Molecular FormulaC13H14N2O5S2
Molecular Weight342.40 g/mol
Exact Mass342.03
IUPAC Name2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NS(C)(=O)=O)cs2)c1OC
InChIInChI=1S/C13H14N2O5S2/c1-19-10-6-4-5-8(11(10)20-2)13-14-9(7-21-13)12(16)15-22(3,17)18/h4-7H,1-3H3,(H,15,16)
InChIKeyMAKAJTVIMVMHPU-UHFFFAOYSA-N
XLogP1.52
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide 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

N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
2-(2,3-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 24672068
2-(2,3-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 42945606
2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 46550031
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46551536
2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672391
2-(2,3-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46549702
2-(2,3-dimethoxyphenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-thiazole-4-carboxamide
CID 37271822

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide (CID 146154055) is 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc(C(=O)NS(C)(=O)=O)cs2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is MAKAJTVIMVMHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S2/c1-19-10-6-4-5-8(11(10)20-2)13-14-9(7-21-13)12(16)15-22(3,17)18/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide?
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146154055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).