(Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine

C13H16N2S — CID 164581205

IUPAC(Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine
SMILESCc1ccc(/C(N)=C/n2sc(C)c2C)cc1
InChIInChI=1S/C13H16N2S/c1-9-4-6-12(7-5-9)13(14)8-15-10(2)11(3)16-15/h4-8H,14H2,1-3H3/b13-8-
InChIKeyNLTVBOZBUADMEW-JYRVWZFOSA-N
MW232.35 g/mol
LogP3.39
Rot. Bonds2

About (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine

(Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine (PubChem CID 164581205) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine
PubChem CID164581205
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine
SMILESCc1ccc(/C(N)=C/n2sc(C)c2C)cc1
InChIInChI=1S/C13H16N2S/c1-9-4-6-12(7-5-9)13(14)8-15-10(2)11(3)16-15/h4-8H,14H2,1-3H3/b13-8-
InChIKeyNLTVBOZBUADMEW-JYRVWZFOSA-N
XLogP3.39
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine?
The IUPAC name of (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine (CID 164581205) is (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine.
What is the SMILES notation for (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine?
The canonical SMILES for (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine is Cc1ccc(/C(N)=C/n2sc(C)c2C)cc1.
What is the InChIKey of (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine?
The InChIKey is NLTVBOZBUADMEW-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-6-12(7-5-9)13(14)8-15-10(2)11(3)16-15/h4-8H,14H2,1-3H3/b13-8-.
What are the key properties of (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine?
(Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine has a molecular weight of 232.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dimethylthiazet-2-yl)-1-(4-methylphenyl)ethenamine is sourced from PubChem (CID 164581205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).