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

C13H18N4O2S2 — CID 82901841

IUPAC4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCCc2nc(C)cs2)c1
InChIInChI=1S/C13H18N4O2S2/c1-9-8-20-13(17-9)5-6-16-12-7-10(3-4-11(12)14)21(18,19)15-2/h3-4,7-8,15-16H,5-6,14H2,1-2H3
InChIKeyUWAKEIQEIMIMDJ-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.60
Rot. Bonds6

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

4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide (PubChem CID 82901841) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
PubChem CID82901841
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NCCc2nc(C)cs2)c1
InChIInChI=1S/C13H18N4O2S2/c1-9-8-20-13(17-9)5-6-16-12-7-10(3-4-11(12)14)21(18,19)15-2/h3-4,7-8,15-16H,5-6,14H2,1-2H3
InChIKeyUWAKEIQEIMIMDJ-UHFFFAOYSA-N
XLogP1.60
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 82898098
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
4-amino-N-methyl-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 82901368
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
4-bromo-5-fluoro-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 66112510
3-amino-5-chloro-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62057704
5-chloro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82122899
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707
3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide
CID 82993398
4-amino-2-bromo-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238661

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide (CID 82901841) is 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NCCc2nc(C)cs2)c1.
What is the InChIKey of 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is UWAKEIQEIMIMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-8-20-13(17-9)5-6-16-12-7-10(3-4-11(12)14)21(18,19)15-2/h3-4,7-8,15-16H,5-6,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide?
4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 82901841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).