2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one

C14H10Cl2N2OS — CID 501029

IUPAC2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Cl)cccc2Cl)N1c1ccncc1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-2-1-3-11(16)13(10)14-18(12(19)8-20-14)9-4-6-17-7-5-9/h1-7,14H,8H2
InChIKeyYEAFOWNMNHUOMH-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.17
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one (PubChem CID 501029) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one
PubChem CID501029
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(Cl)cccc2Cl)N1c1ccncc1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-2-1-3-11(16)13(10)14-18(12(19)8-20-14)9-4-6-17-7-5-9/h1-7,14H,8H2
InChIKeyYEAFOWNMNHUOMH-UHFFFAOYSA-N
XLogP4.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one (CID 501029) is 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one is O=C1CSC(c2c(Cl)cccc2Cl)N1c1ccncc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one?
The InChIKey is YEAFOWNMNHUOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c15-10-2-1-3-11(16)13(10)14-18(12(19)8-20-14)9-4-6-17-7-5-9/h1-7,14H,8H2.
What are the key properties of 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one?
2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one has a molecular weight of 325.22 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-pyridin-4-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 501029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).