2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide

C13H17N3O2S2 — CID 103414481

IUPAC2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide
SMILESCNC(C)c1ccc(NS(=O)(=O)c2cnc(C)s2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-9(14-3)11-4-6-12(7-5-11)16-20(17,18)13-8-15-10(2)19-13/h4-9,14,16H,1-3H3
InChIKeyHOAUXPQHAFZVCA-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide

2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide (PubChem CID 103414481) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide
PubChem CID103414481
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide
SMILESCNC(C)c1ccc(NS(=O)(=O)c2cnc(C)s2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-9(14-3)11-4-6-12(7-5-11)16-20(17,18)13-8-15-10(2)19-13/h4-9,14,16H,1-3H3
InChIKeyHOAUXPQHAFZVCA-UHFFFAOYSA-N
XLogP2.53
TPSA71.09 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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-(methylaminomethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 106911075
5-bromo-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 79997910
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847443
2-methyl-N-(1H-pyrazol-4-yl)-1,3-thiazole-5-sulfonamide
CID 103866466
(E)-3-[4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]prop-2-enoic acid
CID 103414082
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 61051227
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415474
N-(1H-indazol-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 97242161
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
CID 103415147
N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 43508080
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide (CID 103414481) is 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide is CNC(C)c1ccc(NS(=O)(=O)c2cnc(C)s2)cc1.
What is the InChIKey of 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is HOAUXPQHAFZVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9(14-3)11-4-6-12(7-5-11)16-20(17,18)13-8-15-10(2)19-13/h4-9,14,16H,1-3H3.
What are the key properties of 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide?
2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).