N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine

C17H29N3S — CID 79826954

IUPACN-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H29N3S/c1-2-18-15(14-16-19-10-13-21-16)17(8-4-5-9-17)20-11-6-3-7-12-20/h10,13,15,18H,2-9,11-12,14H2,1H3
InChIKeyGXAMBQYWRDAEIU-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.46
Rot. Bonds6

About N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine

N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 79826954) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID79826954
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C17H29N3S/c1-2-18-15(14-16-19-10-13-21-16)17(8-4-5-9-17)20-11-6-3-7-12-20/h10,13,15,18H,2-9,11-12,14H2,1H3
InChIKeyGXAMBQYWRDAEIU-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 79826954) is N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)C1(N2CCCCC2)CCCC1.
What is the InChIKey of N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is GXAMBQYWRDAEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-2-18-15(14-16-19-10-13-21-16)17(8-4-5-9-17)20-11-6-3-7-12-20/h10,13,15,18H,2-9,11-12,14H2,1H3.
What are the key properties of N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 307.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-piperidin-1-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79826954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).