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

C14H19N3O2S2 — CID 79884780

IUPAC3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)cc(N)c1C)c1nccs1
InChIInChI=1S/C14H19N3O2S2/c1-4-12(14-16-5-6-20-14)17-21(18,19)13-8-9(2)7-11(15)10(13)3/h5-8,12,17H,4,15H2,1-3H3
InChIKeyGRSBSGRSSJIWBS-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.77
Rot. Bonds5

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

3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 79884780) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
PubChem CID79884780
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)cc(N)c1C)c1nccs1
InChIInChI=1S/C14H19N3O2S2/c1-4-12(14-16-5-6-20-14)17-21(18,19)13-8-9(2)7-11(15)10(13)3/h5-8,12,17H,4,15H2,1-3H3
InChIKeyGRSBSGRSSJIWBS-UHFFFAOYSA-N
XLogP2.77
TPSA85.08 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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79180058
5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
5-amino-N-methyl-2-[1-(1,3-thiazol-2-yl)propylamino]benzenesulfonamide
CID 103287107
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092
N-[1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 122564380
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
3-amino-N-heptan-2-yl-2,5-dimethylbenzenesulfonamide
CID 79889741
3-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]propane-1-sulfonamide
CID 79585893

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (CID 79884780) is 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1cc(C)cc(N)c1C)c1nccs1.
What is the InChIKey of 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is GRSBSGRSSJIWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-12(14-16-5-6-20-14)17-21(18,19)13-8-9(2)7-11(15)10(13)3/h5-8,12,17H,4,15H2,1-3H3.
What are the key properties of 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 79884780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).