cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone

C17H28N4OS — CID 84595438

IUPACcyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
SMILESCC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1nccs1
InChIInChI=1S/C17H28N4OS/c1-14(16-19-7-13-23-16)18-6-8-20-9-11-21(12-10-20)17(22)15-4-2-3-5-15/h7,13-15,18H,2-6,8-12H2,1H3
InChIKeySALNQONBEZVSPE-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.13
Rot. Bonds6

About cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone

cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone (PubChem CID 84595438) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
PubChem CID84595438
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Namecyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
SMILESCC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1nccs1
InChIInChI=1S/C17H28N4OS/c1-14(16-19-7-13-23-16)18-6-8-20-9-11-21(12-10-20)17(22)15-4-2-3-5-15/h7,13-15,18H,2-6,8-12H2,1H3
InChIKeySALNQONBEZVSPE-UHFFFAOYSA-N
XLogP2.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone (CID 84595438) is cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone is CC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1nccs1.
What is the InChIKey of cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The InChIKey is SALNQONBEZVSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-14(16-19-7-13-23-16)18-6-8-20-9-11-21(12-10-20)17(22)15-4-2-3-5-15/h7,13-15,18H,2-6,8-12H2,1H3.
What are the key properties of cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone has a molecular weight of 336.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 84595438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).