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

C13H18N4O2S2 — CID 106036210

IUPAC5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCCc1csc(C)n1
InChIInChI=1S/C13H18N4O2S2/c1-9-17-11(8-20-9)5-6-16-12-4-3-10(14)7-13(12)21(18,19)15-2/h3-4,7-8,15-16H,5-6,14H2,1-2H3
InChIKeyAFWDIPASCGTILU-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.60
Rot. Bonds6

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

5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide (PubChem CID 106036210) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
PubChem CID106036210
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NCCc1csc(C)n1
InChIInChI=1S/C13H18N4O2S2/c1-9-17-11(8-20-9)5-6-16-12-4-3-10(14)7-13(12)21(18,19)15-2/h3-4,7-8,15-16H,5-6,14H2,1-2H3
InChIKeyAFWDIPASCGTILU-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

1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106036005
5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204
5-amino-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenesulfonamide
CID 103286941
4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106036023
4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]aniline
CID 81190784
4-amino-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 82898098
5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393853
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106035993
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide (CID 106036210) is 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NCCc1csc(C)n1.
What is the InChIKey of 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
The InChIKey is AFWDIPASCGTILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-17-11(8-20-9)5-6-16-12-4-3-10(14)7-13(12)21(18,19)15-2/h3-4,7-8,15-16H,5-6,14H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide?
5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-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 5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106036210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).