[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine

C12H20N2S — CID 112645149

IUPAC[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(Cc2cncs2)C1
InChIInChI=1S/C12H20N2S/c1-2-10-3-4-12(5-10,8-13)6-11-7-14-9-15-11/h7,9-10H,2-6,8,13H2,1H3
InChIKeyWOWVIDKNPDKONN-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.84
Rot. Bonds4

About [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine

[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine (PubChem CID 112645149) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
PubChem CID112645149
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(Cc2cncs2)C1
InChIInChI=1S/C12H20N2S/c1-2-10-3-4-12(5-10,8-13)6-11-7-14-9-15-11/h7,9-10H,2-6,8,13H2,1H3
InChIKeyWOWVIDKNPDKONN-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine?
The IUPAC name of [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine (CID 112645149) is [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine.
What is the SMILES notation for [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine?
The canonical SMILES for [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine is CCC1CCC(CN)(Cc2cncs2)C1.
What is the InChIKey of [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine?
The InChIKey is WOWVIDKNPDKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-10-3-4-12(5-10,8-13)6-11-7-14-9-15-11/h7,9-10H,2-6,8,13H2,1H3.
What are the key properties of [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine?
[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine is sourced from PubChem (CID 112645149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).