4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide

C13H17N3O2S2 — CID 60982357

IUPAC4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide
SMILESCCc1ncc(CNCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C13H17N3O2S2/c1-2-13-16-9-11(19-13)8-15-7-10-3-5-12(6-4-10)20(14,17)18/h3-6,9,15H,2,7-8H2,1H3,(H2,14,17,18)
InChIKeyWKRATXYWKWGMPR-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.64
Rot. Bonds6

About 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide

4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide (PubChem CID 60982357) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide
PubChem CID60982357
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide
SMILESCCc1ncc(CNCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C13H17N3O2S2/c1-2-13-16-9-11(19-13)8-15-7-10-3-5-12(6-4-10)20(14,17)18/h3-6,9,15H,2,7-8H2,1H3,(H2,14,17,18)
InChIKeyWKRATXYWKWGMPR-UHFFFAOYSA-N
XLogP1.64
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]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

4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 62319235
4-chloro-3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 60983542
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
4-[2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]ethyl]benzenesulfonamide
CID 119126639
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 103701893
1-(4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103701879
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 28600347
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60981806
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103701865

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide (CID 60982357) is 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide is CCc1ncc(CNCc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide?
The InChIKey is WKRATXYWKWGMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-2-13-16-9-11(19-13)8-15-7-10-3-5-12(6-4-10)20(14,17)18/h3-6,9,15H,2,7-8H2,1H3,(H2,14,17,18).
What are the key properties of 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide?
4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 60982357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).