2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one

C13H12N2OS2 — CID 2732029

IUPAC2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1Cc1cccs1
InChIInChI=1S/C13H12N2OS2/c16-12-9-18-13(10-3-1-5-14-7-10)15(12)8-11-4-2-6-17-11/h1-7,13H,8-9H2
InChIKeyFNJLCUXPWCMWOG-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.92
Rot. Bonds3

About 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one

2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 2732029) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID2732029
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1Cc1cccs1
InChIInChI=1S/C13H12N2OS2/c16-12-9-18-13(10-3-1-5-14-7-10)15(12)8-11-4-2-6-17-11/h1-7,13H,8-9H2
InChIKeyFNJLCUXPWCMWOG-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (CID 2732029) is 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1Cc1cccs1.
What is the InChIKey of 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is FNJLCUXPWCMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c16-12-9-18-13(10-3-1-5-14-7-10)15(12)8-11-4-2-6-17-11/h1-7,13H,8-9H2.
What are the key properties of 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?
2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 276.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).