2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine

C9H12N4S — CID 112643926

IUPAC2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2cncs2)cn1
InChIInChI=1S/C9H12N4S/c10-2-1-8-4-13(6-12-8)5-9-3-11-7-14-9/h3-4,6-7H,1-2,5,10H2
InChIKeyJCCUVGOFHKSCRJ-UHFFFAOYSA-N
MW208.29 g/mol
LogP0.89
Rot. Bonds4

About 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine

2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 112643926) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID112643926
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2cncs2)cn1
InChIInChI=1S/C9H12N4S/c10-2-1-8-4-13(6-12-8)5-9-3-11-7-14-9/h3-4,6-7H,1-2,5,10H2
InChIKeyJCCUVGOFHKSCRJ-UHFFFAOYSA-N
XLogP0.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-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-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine (CID 112643926) is 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine is NCCc1cn(Cc2cncs2)cn1.
What is the InChIKey of 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is JCCUVGOFHKSCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c10-2-1-8-4-13(6-12-8)5-9-3-11-7-14-9/h3-4,6-7H,1-2,5,10H2.
What are the key properties of 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine?
2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 208.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 112643926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).