(E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine

C8H12N2S — CID 104771695

IUPAC(E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine
SMILESCc1csc(/C=C/CCN)n1
InChIInChI=1S/C8H12N2S/c1-7-6-11-8(10-7)4-2-3-5-9/h2,4,6H,3,5,9H2,1H3/b4-2+
InChIKeySMQURBGENWUGRI-DUXPYHPUSA-N
MW168.26 g/mol
LogP1.81
Rot. Bonds3

About (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine

(E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine (PubChem CID 104771695) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine
PubChem CID104771695
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name(E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine
SMILESCc1csc(/C=C/CCN)n1
InChIInChI=1S/C8H12N2S/c1-7-6-11-8(10-7)4-2-3-5-9/h2,4,6H,3,5,9H2,1H3/b4-2+
InChIKeySMQURBGENWUGRI-DUXPYHPUSA-N
XLogP1.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine 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)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine (CID 104771695) is (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine is Cc1csc(/C=C/CCN)n1.
What is the InChIKey of (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine?
The InChIKey is SMQURBGENWUGRI-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H12N2S/c1-7-6-11-8(10-7)4-2-3-5-9/h2,4,6H,3,5,9H2,1H3/b4-2+.
What are the key properties of (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine?
(E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine has a molecular weight of 168.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine is sourced from PubChem (CID 104771695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).