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

C14H19N3O2S2 — CID 43717563

IUPACN,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC(C)c2csc(C)n2)ccc1C
InChIInChI=1S/C14H19N3O2S2/c1-9-5-6-12(7-14(9)21(18,19)15-4)16-10(2)13-8-20-11(3)17-13/h5-8,10,15-16H,1-4H3
InChIKeyAGVGFYCFGXXQOI-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.84
Rot. Bonds5

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

N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide (PubChem CID 43717563) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
PubChem CID43717563
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NC(C)c2csc(C)n2)ccc1C
InChIInChI=1S/C14H19N3O2S2/c1-9-5-6-12(7-14(9)21(18,19)15-4)16-10(2)13-8-20-11(3)17-13/h5-8,10,15-16H,1-4H3
InChIKeyAGVGFYCFGXXQOI-UHFFFAOYSA-N
XLogP2.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-5-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993127
3-fluoro-4-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670116
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
CID 43742065
N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 43672908
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43670073
4-N,4-N-dimethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 43670343
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
2,2-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxol-5-amine
CID 43676344
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-3-amine
CID 66351418

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide (CID 43717563) is N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(NC(C)c2csc(C)n2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The InChIKey is AGVGFYCFGXXQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-9-5-6-12(7-14(9)21(18,19)15-4)16-10(2)13-8-20-11(3)17-13/h5-8,10,15-16H,1-4H3.
What are the key properties of N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
N,2-dimethyl-5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.84, 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-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 43717563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).