N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide

C13H17N3O2S2 — CID 110397975

IUPACN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
SMILESCNc1nc(CCNS(=O)(=O)Cc2ccccc2)cs1
InChIInChI=1S/C13H17N3O2S2/c1-14-13-16-12(9-19-13)7-8-15-20(17,18)10-11-5-3-2-4-6-11/h2-6,9,15H,7-8,10H2,1H3,(H,14,16)
InChIKeyARCCOKOHYLEOAM-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.85
Rot. Bonds7

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

N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide (PubChem CID 110397975) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
PubChem CID110397975
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
SMILESCNc1nc(CCNS(=O)(=O)Cc2ccccc2)cs1
InChIInChI=1S/C13H17N3O2S2/c1-14-13-16-12(9-19-13)7-8-15-20(17,18)10-11-5-3-2-4-6-11/h2-6,9,15H,7-8,10H2,1H3,(H,14,16)
InChIKeyARCCOKOHYLEOAM-UHFFFAOYSA-N
XLogP1.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide 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

N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide
CID 110719646
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide
CID 110719640
4-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoic acid
CID 110719686
5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110397970
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110717936
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoylmethyl]benzoic acid
CID 166178742
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide (CID 110397975) is N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide is CNc1nc(CCNS(=O)(=O)Cc2ccccc2)cs1.
What is the InChIKey of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide?
The InChIKey is ARCCOKOHYLEOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-14-13-16-12(9-19-13)7-8-15-20(17,18)10-11-5-3-2-4-6-11/h2-6,9,15H,7-8,10H2,1H3,(H,14,16).
What are the key properties of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide?
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110397975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).