1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine

C13H22N2S — CID 115724938

IUPAC1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)C2CCCC2)s1
InChIInChI=1S/C13H22N2S/c1-3-12-8-15-13(16-12)9-14-10(2)11-6-4-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyGGWBEWPZOBXPSA-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.37
Rot. Bonds5

About 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine

1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 115724938) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID115724938
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)C2CCCC2)s1
InChIInChI=1S/C13H22N2S/c1-3-12-8-15-13(16-12)9-14-10(2)11-6-4-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyGGWBEWPZOBXPSA-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 113262339
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769057
(1S)-1-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81386418
(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81384667
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103787091
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
CID 115768431
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 115972418
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
1-cyclopentyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111495651

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 115724938) is 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine is CCc1cnc(CNC(C)C2CCCC2)s1.
What is the InChIKey of 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is GGWBEWPZOBXPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-12-8-15-13(16-12)9-14-10(2)11-6-4-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 115724938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).