2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide

C12H15N3O2S2 — CID 106911075

IUPAC2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESCNCc1ccc(NS(=O)(=O)c2cnc(C)s2)cc1
InChIInChI=1S/C12H15N3O2S2/c1-9-14-8-12(18-9)19(16,17)15-11-5-3-10(4-6-11)7-13-2/h3-6,8,13,15H,7H2,1-2H3
InChIKeyAGHSKVCEYBEGDS-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide

2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide (PubChem CID 106911075) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide
PubChem CID106911075
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESCNCc1ccc(NS(=O)(=O)c2cnc(C)s2)cc1
InChIInChI=1S/C12H15N3O2S2/c1-9-14-8-12(18-9)19(16,17)15-11-5-3-10(4-6-11)7-13-2/h3-6,8,13,15H,7H2,1-2H3
InChIKeyAGHSKVCEYBEGDS-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide 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-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847443
2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 103414481
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415474
(E)-3-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]prop-2-enoic acid
CID 103414082
2-methyl-N-(1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide
CID 103866466
N-(1H-indazol-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 97242161
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 61051625
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
CID 103415147
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 54922138
N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 113368495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide (CID 106911075) is 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide is CNCc1ccc(NS(=O)(=O)c2cnc(C)s2)cc1.
What is the InChIKey of 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is AGHSKVCEYBEGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-14-8-12(18-9)19(16,17)15-11-5-3-10(4-6-11)7-13-2/h3-6,8,13,15H,7H2,1-2H3.
What are the key properties of 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide?
2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106911075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).