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

C12H20N2S — CID 115777843

IUPACN-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(C)NCC2CCCC2)s1
InChIInChI=1S/C12H20N2S/c1-9(12-8-14-10(2)15-12)13-7-11-5-3-4-6-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyIOKLAOKEAYPLPC-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.29
Rot. Bonds4

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

N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 115777843) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID115777843
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(C)NCC2CCCC2)s1
InChIInChI=1S/C12H20N2S/c1-9(12-8-14-10(2)15-12)13-7-11-5-3-4-6-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyIOKLAOKEAYPLPC-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-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-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 115777834
2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
CID 97103233
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777981
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
N-(cyclobutylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612552

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 115777843) is N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncc(C(C)NCC2CCCC2)s1.
What is the InChIKey of N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is IOKLAOKEAYPLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(12-8-14-10(2)15-12)13-7-11-5-3-4-6-11/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 224.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115777843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).