N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide

C13H17N3O2S2 — CID 110717936

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCc2csc(N)n2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-10-2-4-11(5-3-10)9-20(17,18)15-7-6-12-8-19-13(14)16-12/h2-5,8,15H,6-7,9H2,1H3,(H2,14,16)
InChIKeyHLGSBUNBEFHNLU-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 110717936) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID110717936
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCCc2csc(N)n2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-10-2-4-11(5-3-10)9-20(17,18)15-7-6-12-8-19-13(14)16-12/h2-5,8,15H,6-7,9H2,1H3,(H2,14,16)
InChIKeyHLGSBUNBEFHNLU-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide 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-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-chlorophenyl)methanesulfonamide
CID 110717938
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoylmethyl]benzoic acid
CID 166178742
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 110397975
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110717928
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 110718074
1-(2-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 106034147
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
3-[(4-methylphenyl)methylsulfonyl]-1,2,4-thiadiazol-5-amine
CID 16637461
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 110717920

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide (CID 110717936) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCCc2csc(N)n2)cc1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is HLGSBUNBEFHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-10-2-4-11(5-3-10)9-20(17,18)15-7-6-12-8-19-13(14)16-12/h2-5,8,15H,6-7,9H2,1H3,(H2,14,16).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110717936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).