N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine

C13H22N2S — CID 115907917

IUPACN-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(CCNCC2CCCC2)s1
InChIInChI=1S/C13H22N2S/c1-2-12-10-15-13(16-12)7-8-14-9-11-5-3-4-6-11/h10-11,14H,2-9H2,1H3
InChIKeyRMALHXYJSOEKDS-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.03
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine

N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115907917) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115907917
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(CCNCC2CCCC2)s1
InChIInChI=1S/C13H22N2S/c1-2-12-10-15-13(16-12)7-8-14-9-11-5-3-4-6-11/h10-11,14H,2-9H2,1H3
InChIKeyRMALHXYJSOEKDS-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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

N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115907724
N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115756917
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine
CID 115887745
(3R)-3-(2-amino-2-oxoethyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 96522626
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111531705
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465752
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111532899
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 71997185
2-(3-cyclopentyloxypropyl)-1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111531383
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540672
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111511006

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine (CID 115907917) is N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine is CCc1cnc(CCNCC2CCCC2)s1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is RMALHXYJSOEKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-12-10-15-13(16-12)7-8-14-9-11-5-3-4-6-11/h10-11,14H,2-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115907917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).