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

C13H22N2S — CID 60983544

IUPAC2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCc1ncc(CNCCC2CCCC2)s1
InChIInChI=1S/C13H22N2S/c1-2-13-15-10-12(16-13)9-14-8-7-11-5-3-4-6-11/h10-11,14H,2-9H2,1H3
InChIKeyMLKBFJMFHYSCMU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.38
Rot. Bonds6

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

2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 60983544) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID60983544
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCc1ncc(CNCCC2CCCC2)s1
InChIInChI=1S/C13H22N2S/c1-2-13-15-10-12(16-13)9-14-8-7-11-5-3-4-6-11/h10-11,14H,2-9H2,1H3
InChIKeyMLKBFJMFHYSCMU-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115690277
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
2-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927098
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335
5-[(2-cyclopropylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115656457
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65140276
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 54883121
N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115907917

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 60983544) is 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine is CCc1ncc(CNCCC2CCCC2)s1.
What is the InChIKey of 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is MLKBFJMFHYSCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-13-15-10-12(16-13)9-14-8-7-11-5-3-4-6-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 60983544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).