3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide

C14H19N3O2S2 — CID 115898575

IUPAC3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NC(C)c2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C14H19N3O2S2/c1-9-8-16-14(20-9)11(3)17-10(2)12-5-4-6-13(7-12)21(15,18)19/h4-8,10-11,17H,1-3H3,(H2,15,18,19)
InChIKeyXHZWYIMYQRAJPR-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.51
Rot. Bonds5

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

3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide (PubChem CID 115898575) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
PubChem CID115898575
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NC(C)c2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C14H19N3O2S2/c1-9-8-16-14(20-9)11(3)17-10(2)12-5-4-6-13(7-12)21(15,18)19/h4-8,10-11,17H,1-3H3,(H2,15,18,19)
InChIKeyXHZWYIMYQRAJPR-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide (CID 115898575) is 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide is Cc1cnc(C(C)NC(C)c2cccc(S(N)(=O)=O)c2)s1.
What is the InChIKey of 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is XHZWYIMYQRAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-9-8-16-14(20-9)11(3)17-10(2)12-5-4-6-13(7-12)21(15,18)19/h4-8,10-11,17H,1-3H3,(H2,15,18,19).
What are the key properties of 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide?
3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 115898575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).