N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine

C11H18N2S — CID 115879116

IUPACN-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCC1CCCC1)c1cscn1
InChIInChI=1S/C11H18N2S/c1-9(11-7-14-8-13-11)12-6-10-4-2-3-5-10/h7-10,12H,2-6H2,1H3
InChIKeyGIUOCGBRXFKNDU-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.98
Rot. Bonds4

About N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine

N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115879116) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115879116
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCC1CCCC1)c1cscn1
InChIInChI=1S/C11H18N2S/c1-9(11-7-14-8-13-11)12-6-10-4-2-3-5-10/h7-10,12H,2-6H2,1H3
InChIKeyGIUOCGBRXFKNDU-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879207
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 113486901
5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 115890616
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-[1-(1,3-thiazol-4-yl)ethyl]cyclopropanamine
CID 46784254
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103903502
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
CID 113344938
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115879085
4-ethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 115879066
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine (CID 115879116) is N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine is CC(NCC1CCCC1)c1cscn1.
What is the InChIKey of N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is GIUOCGBRXFKNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(11-7-14-8-13-11)12-6-10-4-2-3-5-10/h7-10,12H,2-6H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine?
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115879116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).