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

C8H12N2S — CID 5207560

IUPAC2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine
SMILESNCCc1nc(C2CC2)cs1
InChIInChI=1S/C8H12N2S/c9-4-3-8-10-7(5-11-8)6-1-2-6/h5-6H,1-4,9H2
InChIKeyYQIQHBJQTNUVCL-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.52
Rot. Bonds3

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

2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 5207560) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine
PubChem CID5207560
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine
SMILESNCCc1nc(C2CC2)cs1
InChIInChI=1S/C8H12N2S/c9-4-3-8-10-7(5-11-8)6-1-2-6/h5-6H,1-4,9H2
InChIKeyYQIQHBJQTNUVCL-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine (CID 5207560) is 2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine is NCCc1nc(C2CC2)cs1.
What is the InChIKey of 2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is YQIQHBJQTNUVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c9-4-3-8-10-7(5-11-8)6-1-2-6/h5-6H,1-4,9H2.
What are the key properties of 2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine?
2-(4-cyclopropyl-1,3-thiazol-2-yl)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-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 5207560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).