3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

C15H12ClFN2OS — CID 2732020

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H12ClFN2OS/c16-12-4-1-5-13(17)11(12)8-19-14(20)9-21-15(19)10-3-2-6-18-7-10/h1-7,15H,8-9H2
InChIKeyZXDWQWPSCCMVQI-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.65
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2732020) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2732020
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H12ClFN2OS/c16-12-4-1-5-13(17)11(12)8-19-14(20)9-21-15(19)10-3-2-6-18-7-10/h1-7,15H,8-9H2
InChIKeyZXDWQWPSCCMVQI-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2732020) is 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is ZXDWQWPSCCMVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c16-12-4-1-5-13(17)11(12)8-19-14(20)9-21-15(19)10-3-2-6-18-7-10/h1-7,15H,8-9H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 322.79 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).