cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C18H23N3OS2 — CID 36880724

IUPACcyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C18H23N3OS2/c22-18(14-3-1-2-4-14)21-8-6-20(7-9-21)11-16-13-24-17(19-16)15-5-10-23-12-15/h5,10,12-14H,1-4,6-9,11H2
InChIKeyXBGPCVCXONRPTR-UHFFFAOYSA-N
MW361.54 g/mol
LogP3.71
Rot. Bonds4

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

cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 36880724) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID36880724
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC Namecyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C18H23N3OS2/c22-18(14-3-1-2-4-14)21-8-6-20(7-9-21)11-16-13-24-17(19-16)15-5-10-23-12-15/h5,10,12-14H,1-4,6-9,11H2
InChIKeyXBGPCVCXONRPTR-UHFFFAOYSA-N
XLogP3.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 36880724) is cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is O=C(C1CCCC1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is XBGPCVCXONRPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c22-18(14-3-1-2-4-14)21-8-6-20(7-9-21)11-16-13-24-17(19-16)15-5-10-23-12-15/h5,10,12-14H,1-4,6-9,11H2.
What are the key properties of cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 361.54 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 36880724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).