3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide

C13H17N3O2S2 — CID 61472090

IUPAC3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cccc(N)c2C)sc1C
InChIInChI=1S/C13H17N3O2S2/c1-4-11-9(3)19-13(15-11)16-20(17,18)12-7-5-6-10(14)8(12)2/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyHFQUPLLCXYSEHT-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.71
Rot. Bonds4

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

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide (PubChem CID 61472090) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
PubChem CID61472090
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cccc(N)c2C)sc1C
InChIInChI=1S/C13H17N3O2S2/c1-4-11-9(3)19-13(15-11)16-20(17,18)12-7-5-6-10(14)8(12)2/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyHFQUPLLCXYSEHT-UHFFFAOYSA-N
XLogP2.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide (CID 61472090) is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide is CCc1nc(NS(=O)(=O)c2cccc(N)c2C)sc1C.
What is the InChIKey of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is HFQUPLLCXYSEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-4-11-9(3)19-13(15-11)16-20(17,18)12-7-5-6-10(14)8(12)2/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide?
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61472090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).