(E)-2-(1,3-thiazol-2-yl)ethenamine

C5H6N2S — CID 76851790

IUPAC(E)-2-(1,3-thiazol-2-yl)ethenamine
SMILESN/C=C/c1nccs1
InChIInChI=1S/C5H6N2S/c6-2-1-5-7-3-4-8-5/h1-4H,6H2/b2-1+
InChIKeyJHFWRROZVDMANI-OWOJBTEDSA-N
MW126.18 g/mol
LogP1.07
Rot. Bonds1

About (E)-2-(1,3-thiazol-2-yl)ethenamine

(E)-2-(1,3-thiazol-2-yl)ethenamine (PubChem CID 76851790) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is (E)-2-(1,3-thiazol-2-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(1,3-thiazol-2-yl)ethenamine
PubChem CID76851790
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name(E)-2-(1,3-thiazol-2-yl)ethenamine
SMILESN/C=C/c1nccs1
InChIInChI=1S/C5H6N2S/c6-2-1-5-7-3-4-8-5/h1-4H,6H2/b2-1+
InChIKeyJHFWRROZVDMANI-OWOJBTEDSA-N
XLogP1.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-(1,3-thiazol-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 (E)-2-(1,3-thiazol-2-yl)ethenamine?
The IUPAC name of (E)-2-(1,3-thiazol-2-yl)ethenamine (CID 76851790) is (E)-2-(1,3-thiazol-2-yl)ethenamine.
What is the SMILES notation for (E)-2-(1,3-thiazol-2-yl)ethenamine?
The canonical SMILES for (E)-2-(1,3-thiazol-2-yl)ethenamine is N/C=C/c1nccs1.
What is the InChIKey of (E)-2-(1,3-thiazol-2-yl)ethenamine?
The InChIKey is JHFWRROZVDMANI-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H6N2S/c6-2-1-5-7-3-4-8-5/h1-4H,6H2/b2-1+.
What are the key properties of (E)-2-(1,3-thiazol-2-yl)ethenamine?
(E)-2-(1,3-thiazol-2-yl)ethenamine has a molecular weight of 126.18 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,3-thiazol-2-yl)ethenamine is sourced from PubChem (CID 76851790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).