3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

C15H12Cl2N2OS — CID 2732022

IUPAC3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2OS/c16-12-4-3-10(6-13(12)17)8-19-14(20)9-21-15(19)11-2-1-5-18-7-11/h1-7,15H,8-9H2
InChIKeyKJLIFMTXEHSVSU-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.16
Rot. Bonds3

About 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2732022) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2732022
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2OS/c16-12-4-3-10(6-13(12)17)8-19-14(20)9-21-15(19)11-2-1-5-18-7-11/h1-7,15H,8-9H2
InChIKeyKJLIFMTXEHSVSU-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2732022) is 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is KJLIFMTXEHSVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c16-12-4-3-10(6-13(12)17)8-19-14(20)9-21-15(19)11-2-1-5-18-7-11/h1-7,15H,8-9H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 339.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).