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

C13H17N3O2S2 — CID 61126239

IUPAC5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCc1nc(C)cs1
InChIInChI=1S/C13H17N3O2S2/c1-3-10-4-5-11(14)6-12(10)20(17,18)15-7-13-16-9(2)8-19-13/h4-6,8,15H,3,7,14H2,1-2H3
InChIKeyMUNFRANSIQMRPT-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.07
Rot. Bonds5

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

5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 61126239) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID61126239
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCc1nc(C)cs1
InChIInChI=1S/C13H17N3O2S2/c1-3-10-4-5-11(14)6-12(10)20(17,18)15-7-13-16-9(2)8-19-13/h4-6,8,15H,3,7,14H2,1-2H3
InChIKeyMUNFRANSIQMRPT-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)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-amino-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126624
4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61127020
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 47137013
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
4-amino-2-bromo-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238661
3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 79177671
3-(aminomethyl)-4-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 81450678
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
3-amino-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61125479
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 61126239) is 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NCc1nc(C)cs1.
What is the InChIKey of 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is MUNFRANSIQMRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-10-4-5-11(14)6-12(10)20(17,18)15-7-13-16-9(2)8-19-13/h4-6,8,15H,3,7,14H2,1-2H3.
What are the key properties of 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61126239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).