2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone

C14H20N4OS — CID 91937922

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCSC1
InChIInChI=1S/C14H20N4OS/c19-14(18-9-10-20-12-18)11-16-5-7-17(8-6-16)13-3-1-2-4-15-13/h1-4H,5-12H2
InChIKeyIFWOVOGHKOPMQY-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.74
Rot. Bonds3

About 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone

2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone (PubChem CID 91937922) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone
PubChem CID91937922
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCSC1
InChIInChI=1S/C14H20N4OS/c19-14(18-9-10-20-12-18)11-16-5-7-17(8-6-16)13-3-1-2-4-15-13/h1-4H,5-12H2
InChIKeyIFWOVOGHKOPMQY-UHFFFAOYSA-N
XLogP0.74
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone (CID 91937922) is 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)N1CCSC1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone?
The InChIKey is IFWOVOGHKOPMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c19-14(18-9-10-20-12-18)11-16-5-7-17(8-6-16)13-3-1-2-4-15-13/h1-4H,5-12H2.
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone?
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone has a molecular weight of 292.41 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 91937922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).