3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one

C13H12N2OS2 — CID 129012671

IUPAC3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2cccs2)n1
InChIInChI=1S/C13H12N2OS2/c1-9-4-2-6-11(14-9)15-12(16)8-18-13(15)10-5-3-7-17-10/h2-7,13H,8H2,1H3
InChIKeySJKJMPNLAKULNR-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.23
Rot. Bonds2

About 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 129012671) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID129012671
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)CSC2c2cccs2)n1
InChIInChI=1S/C13H12N2OS2/c1-9-4-2-6-11(14-9)15-12(16)8-18-13(15)10-5-3-7-17-10/h2-7,13H,8H2,1H3
InChIKeySJKJMPNLAKULNR-UHFFFAOYSA-N
XLogP3.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 129012671) is 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)CSC2c2cccs2)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is SJKJMPNLAKULNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-9-4-2-6-11(14-9)15-12(16)8-18-13(15)10-5-3-7-17-10/h2-7,13H,8H2,1H3.
What are the key properties of 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 276.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 129012671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).