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

C13H17N3O2S2 — CID 106061084

IUPAC4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-10-9-15-13(19-10)16-20(17,18)12-5-3-11(4-6-12)7-8-14-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyOZDRQGOCPKLDPP-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.01
Rot. Bonds6

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

4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106061084) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106061084
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-10-9-15-13(19-10)16-20(17,18)12-5-3-11(4-6-12)7-8-14-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyOZDRQGOCPKLDPP-UHFFFAOYSA-N
XLogP2.01
TPSA71.09 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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)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-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 54922138
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073262
6-amino-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62145030
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 29052014
4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
CID 106070098
4-[3-(methylamino)propyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081042
3-(aminomethyl)-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060889
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106060932
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 106061084) is 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CNCCc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is OZDRQGOCPKLDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-10-9-15-13(19-10)16-20(17,18)12-5-3-11(4-6-12)7-8-14-2/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106061084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).