2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine

C9H14N2S — CID 82668915

IUPAC2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(C)=Cc1nc(CCN)cs1
InChIInChI=1S/C9H14N2S/c1-7(2)5-9-11-8(3-4-10)6-12-9/h5-6H,3-4,10H2,1-2H3
InChIKeyFQLPTJKRVWAGCJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.07
Rot. Bonds3

About 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 82668915) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID82668915
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(C)=Cc1nc(CCN)cs1
InChIInChI=1S/C9H14N2S/c1-7(2)5-9-11-8(3-4-10)6-12-9/h5-6H,3-4,10H2,1-2H3
InChIKeyFQLPTJKRVWAGCJ-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine 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 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine (CID 82668915) is 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine is CC(C)=Cc1nc(CCN)cs1.
What is the InChIKey of 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is FQLPTJKRVWAGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7(2)5-9-11-8(3-4-10)6-12-9/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 182.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82668915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).