N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide

C13H17N3O2S2 — CID 64993127

IUPACN,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC(C)c2nccs2)ccc1C
InChIInChI=1S/C13H17N3O2S2/c1-9-4-5-11(8-12(9)20(17,18)14-3)16-10(2)13-15-6-7-19-13/h4-8,10,14,16H,1-3H3
InChIKeyJKRJEBGJBLOXFS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.53
Rot. Bonds5

About N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide

N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide (PubChem CID 64993127) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
PubChem CID64993127
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC(C)c2nccs2)ccc1C
InChIInChI=1S/C13H17N3O2S2/c1-9-4-5-11(8-12(9)20(17,18)14-3)16-10(2)13-15-6-7-19-13/h4-8,10,14,16H,1-3H3
InChIKeyJKRJEBGJBLOXFS-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

N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 43717563
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993113
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 64993719
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993195
methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide (CID 64993127) is N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(NC(C)c2nccs2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is JKRJEBGJBLOXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-4-5-11(8-12(9)20(17,18)14-3)16-10(2)13-15-6-7-19-13/h4-8,10,14,16H,1-3H3.
What are the key properties of N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide 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 N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 64993127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).