(Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine

C13H16N2S — CID 164581237

IUPAC(Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine
SMILESCCc1ccc(/C(N)=C/n2cc(C)s2)cc1
InChIInChI=1S/C13H16N2S/c1-3-11-4-6-12(7-5-11)13(14)9-15-8-10(2)16-15/h4-9H,3,14H2,1-2H3/b13-9-
InChIKeyWPMOKVGIFUEWTO-LCYFTJDESA-N
MW232.35 g/mol
LogP3.33
Rot. Bonds3

About (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine

(Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine (PubChem CID 164581237) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine
PubChem CID164581237
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine
SMILESCCc1ccc(/C(N)=C/n2cc(C)s2)cc1
InChIInChI=1S/C13H16N2S/c1-3-11-4-6-12(7-5-11)13(14)9-15-8-10(2)16-15/h4-9H,3,14H2,1-2H3/b13-9-
InChIKeyWPMOKVGIFUEWTO-LCYFTJDESA-N
XLogP3.33
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine 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 (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine?
The IUPAC name of (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine (CID 164581237) is (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine.
What is the SMILES notation for (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine?
The canonical SMILES for (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine is CCc1ccc(/C(N)=C/n2cc(C)s2)cc1.
What is the InChIKey of (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine?
The InChIKey is WPMOKVGIFUEWTO-LCYFTJDESA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-11-4-6-12(7-5-11)13(14)9-15-8-10(2)16-15/h4-9H,3,14H2,1-2H3/b13-9-.
What are the key properties of (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine?
(Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine has a molecular weight of 232.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-ethylphenyl)-2-(4-methylthiazet-2-yl)ethenamine is sourced from PubChem (CID 164581237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).