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

C8H12N2S — CID 96632232

IUPAC2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine
SMILESNCCC1(c2cscn2)CC1
InChIInChI=1S/C8H12N2S/c9-4-3-8(1-2-8)7-5-11-6-10-7/h5-6H,1-4,9H2
InChIKeyUAMUHPBZRNMTOQ-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.52
Rot. Bonds3

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

2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine (PubChem CID 96632232) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine
PubChem CID96632232
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine
SMILESNCCC1(c2cscn2)CC1
InChIInChI=1S/C8H12N2S/c9-4-3-8(1-2-8)7-5-11-6-10-7/h5-6H,1-4,9H2
InChIKeyUAMUHPBZRNMTOQ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1,3-thiazol-4-yl)cyclopropyl]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-4-yl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine (CID 96632232) is 2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine is NCCC1(c2cscn2)CC1.
What is the InChIKey of 2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine?
The InChIKey is UAMUHPBZRNMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c9-4-3-8(1-2-8)7-5-11-6-10-7/h5-6H,1-4,9H2.
What are the key properties of 2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine?
2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine has a molecular weight of 168.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-4-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 96632232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).