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

C12H20N2S — CID 115907724

IUPACN-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(CCNCC2CCCC2)s1
InChIInChI=1S/C12H20N2S/c1-10-8-14-12(15-10)6-7-13-9-11-4-2-3-5-11/h8,11,13H,2-7,9H2,1H3
InChIKeySCJGUOLPJXOJHT-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.77
Rot. Bonds5

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

N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115907724) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115907724
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(CCNCC2CCCC2)s1
InChIInChI=1S/C12H20N2S/c1-10-8-14-12(15-10)6-7-13-9-11-4-2-3-5-11/h8,11,13H,2-7,9H2,1H3
InChIKeySCJGUOLPJXOJHT-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115756917
N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115907917
1-(cyclooctylmethyl)-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111523323
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75518600
N-(cyclobutylmethyl)-5-methyl-1,3-thiazol-2-amine
CID 130741895
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110739344
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115640601
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111631178
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 75378361

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 115907724) is N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(CCNCC2CCCC2)s1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is SCJGUOLPJXOJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-8-14-12(15-10)6-7-13-9-11-4-2-3-5-11/h8,11,13H,2-7,9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115907724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).