3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide

C13H17N3O2S2 — CID 60697901

IUPAC3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1nc(CNC(C)c2cccc(S(N)(=O)=O)c2)cs1
InChIInChI=1S/C13H17N3O2S2/c1-9(15-7-12-8-19-10(2)16-12)11-4-3-5-13(6-11)20(14,17)18/h3-6,8-9,15H,7H2,1-2H3,(H2,14,17,18)
InChIKeyLQXYYSUUNFJYBB-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.95
Rot. Bonds5

About 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide

3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide (PubChem CID 60697901) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide
PubChem CID60697901
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide
SMILESCc1nc(CNC(C)c2cccc(S(N)(=O)=O)c2)cs1
InChIInChI=1S/C13H17N3O2S2/c1-9(15-7-12-8-19-10(2)16-12)11-4-3-5-13(6-11)20(14,17)18/h3-6,8-9,15H,7H2,1-2H3,(H2,14,17,18)
InChIKeyLQXYYSUUNFJYBB-UHFFFAOYSA-N
XLogP1.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide 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

1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 62055705
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-[(3-methyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
CID 60720836
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 28781245
3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585100
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 61281098
1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide (CID 60697901) is 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide is Cc1nc(CNC(C)c2cccc(S(N)(=O)=O)c2)cs1.
What is the InChIKey of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is LQXYYSUUNFJYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9(15-7-12-8-19-10(2)16-12)11-4-3-5-13(6-11)20(14,17)18/h3-6,8-9,15H,7H2,1-2H3,(H2,14,17,18).
What are the key properties of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide?
3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 60697901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).