N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C13H22N2S — CID 79825132

IUPACN-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)C1CCCC1
InChIInChI=1S/C13H22N2S/c1-2-7-14-12(11-5-3-4-6-11)10-13-15-8-9-16-13/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyZILUORIXYPQBAH-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.24
Rot. Bonds6

About N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 79825132) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID79825132
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)C1CCCC1
InChIInChI=1S/C13H22N2S/c1-2-7-14-12(11-5-3-4-6-11)10-13-15-8-9-16-13/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyZILUORIXYPQBAH-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824497
N-[1-(thian-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 80626828
[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105232079
[1-cyclooctyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105255195
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826944
N-(1-cyclohexyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61066233
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826943
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169089
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014878
N-[1-(4-propylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824727
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 79825132) is N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is ZILUORIXYPQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-7-14-12(11-5-3-4-6-11)10-13-15-8-9-16-13/h8-9,11-12,14H,2-7,10H2,1H3.
What are the key properties of N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79825132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).