3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one

C15H13ClN2OS — CID 5068879

IUPAC3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccccn2)cc1Cl
InChIInChI=1S/C15H13ClN2OS/c1-10-5-6-11(8-12(10)16)18-14(19)9-20-15(18)13-4-2-3-7-17-13/h2-8,15H,9H2,1H3
InChIKeyLKKJEDHIUOMVHI-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.82
Rot. Bonds2

About 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one

3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 5068879) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID5068879
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccccn2)cc1Cl
InChIInChI=1S/C15H13ClN2OS/c1-10-5-6-11(8-12(10)16)18-14(19)9-20-15(18)13-4-2-3-7-17-13/h2-8,15H,9H2,1H3
InChIKeyLKKJEDHIUOMVHI-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one (CID 5068879) is 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2ccccn2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is LKKJEDHIUOMVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-10-5-6-11(8-12(10)16)18-14(19)9-20-15(18)13-4-2-3-7-17-13/h2-8,15H,9H2,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one?
3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 304.80 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5068879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).