2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one

C15H12ClFN2OS — CID 501038

IUPAC2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(F)cccc2Cl)c1
InChIInChI=1S/C15H12ClFN2OS/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3
InChIKeyOPQPKXNKKGTKBZ-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.96
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 501038) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID501038
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(F)cccc2Cl)c1
InChIInChI=1S/C15H12ClFN2OS/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3
InChIKeyOPQPKXNKKGTKBZ-UHFFFAOYSA-N
XLogP3.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954
4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-yl)butanamide
CID 1416037
5-(2-Chloro-benzyl)-2-[(E)-pyridin-2-ylimino]-thiazolidin-4-one
CID 135635832
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(2-pyridinyl)-
CID 486676
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(6-methyl-2-pyridinyl)-
CID 486679
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(6-methyl-2-pyridinyl)-
CID 486680
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486681
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486682
2-(2,6-Difluorophenyl)-3-(4,6-dimethyl-2-pyridyl)thiazolidin-4-one
CID 497213
2-(2-Chloro-6-fluoro-phenyl)-3-(2-pyridyl)thiazolidin-4-one
CID 501027
3-(6-Bromo-2-pyridyl)-2-(2,6-dichlorophenyl)thiazolidin-4-one
CID 501036

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (CID 501038) is 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is Cc1ccnc(N2C(=O)CSC2c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is OPQPKXNKKGTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c1-9-5-6-18-12(7-9)19-13(20)8-21-15(19)14-10(16)3-2-4-11(14)17/h2-7,15H,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 322.79 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 501038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).