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

C13H18N4O2S2 — CID 103287107

IUPAC5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide
SMILESCCC(Nc1ccc(N)cc1S(=O)(=O)NC)c1nccs1
InChIInChI=1S/C13H18N4O2S2/c1-3-10(13-16-6-7-20-13)17-11-5-4-9(14)8-12(11)21(18,19)15-2/h4-8,10,15,17H,3,14H2,1-2H3
InChIKeyCHBPZSOWFWCYDC-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.20
Rot. Bonds6

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

5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide (PubChem CID 103287107) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide
PubChem CID103287107
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide
SMILESCCC(Nc1ccc(N)cc1S(=O)(=O)NC)c1nccs1
InChIInChI=1S/C13H18N4O2S2/c1-3-10(13-16-6-7-20-13)17-11-5-4-9(14)8-12(11)21(18,19)15-2/h4-8,10,15,17H,3,14H2,1-2H3
InChIKeyCHBPZSOWFWCYDC-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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

5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
2-amino-3-fluoro-6-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 83207195
2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-benzoxazole-2,6-diamine
CID 79892589
4-[4-[1-(1,3-thiazol-2-yl)propylamino]butan-2-yl]aniline
CID 104501708
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide
CID 103287104
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
3-nitro-4-[1-(1,3-thiazol-2-yl)propylamino]benzaldehyde
CID 83120378

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide (CID 103287107) is 5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide is CCC(Nc1ccc(N)cc1S(=O)(=O)NC)c1nccs1.
What is the InChIKey of 5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide?
The InChIKey is CHBPZSOWFWCYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-3-10(13-16-6-7-20-13)17-11-5-4-9(14)8-12(11)21(18,19)15-2/h4-8,10,15,17H,3,14H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide?
5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.20, 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-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide is sourced from PubChem (CID 103287107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).