3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one

C12H17N3OS — CID 79643158

IUPAC3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one
SMILESO=C1CCC(N2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C12H17N3OS/c16-11-2-1-10(9-11)14-4-6-15(7-5-14)12-13-3-8-17-12/h3,8,10H,1-2,4-7,9H2
InChIKeyAHZRJKGPCHWMHE-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.39
Rot. Bonds2

About 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one

3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one (PubChem CID 79643158) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one
PubChem CID79643158
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one
SMILESO=C1CCC(N2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C12H17N3OS/c16-11-2-1-10(9-11)14-4-6-15(7-5-14)12-13-3-8-17-12/h3,8,10H,1-2,4-7,9H2
InChIKeyAHZRJKGPCHWMHE-UHFFFAOYSA-N
XLogP1.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-ol
CID 60714895
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentan-1-one
CID 79642921
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976803
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 43291625
2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
CID 55250932
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole
CID 95235089
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one?
The IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one (CID 79643158) is 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one?
The canonical SMILES for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one is O=C1CCC(N2CCN(c3nccs3)CC2)C1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one?
The InChIKey is AHZRJKGPCHWMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-11-2-1-10(9-11)14-4-6-15(7-5-14)12-13-3-8-17-12/h3,8,10H,1-2,4-7,9H2.
What are the key properties of 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one?
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one has a molecular weight of 251.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one is sourced from PubChem (CID 79643158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).