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

C12H20N2S — CID 65403899

IUPAC2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCC1CCC(c2nc(CCN)cs2)C1
InChIInChI=1S/C12H20N2S/c1-2-9-3-4-10(7-9)12-14-11(5-6-13)8-15-12/h8-10H,2-7,13H2,1H3
InChIKeyDIRKMAPXJVKAJP-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.94
Rot. Bonds4

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

2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 65403899) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID65403899
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCC1CCC(c2nc(CCN)cs2)C1
InChIInChI=1S/C12H20N2S/c1-2-9-3-4-10(7-9)12-14-11(5-6-13)8-15-12/h8-10H,2-7,13H2,1H3
InChIKeyDIRKMAPXJVKAJP-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine (CID 65403899) is 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine is CCC1CCC(c2nc(CCN)cs2)C1.
What is the InChIKey of 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is DIRKMAPXJVKAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-9-3-4-10(7-9)12-14-11(5-6-13)8-15-12/h8-10H,2-7,13H2,1H3.
What are the key properties of 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 65403899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).