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

C16H14ClFN2OS — CID 501042

IUPAC2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N2C(=O)CSC2c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14ClFN2OS/c1-9-6-10(2)19-13(7-9)20-14(21)8-22-16(20)15-11(17)4-3-5-12(15)18/h3-7,16H,8H2,1-2H3
InChIKeyBNYXQQIYBRPSAZ-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.27
Rot. Bonds2

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

2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 501042) has the molecular formula C16H14ClFN2OS and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID501042
Molecular FormulaC16H14ClFN2OS
Molecular Weight336.82 g/mol
Exact Mass336.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N2C(=O)CSC2c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14ClFN2OS/c1-9-6-10(2)19-13(7-9)20-14(21)8-22-16(20)15-11(17)4-3-5-12(15)18/h3-7,16H,8H2,1-2H3
InChIKeyBNYXQQIYBRPSAZ-UHFFFAOYSA-N
XLogP4.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one (CID 501042) is 2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one is Cc1cc(C)nc(N2C(=O)CSC2c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is BNYXQQIYBRPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2OS/c1-9-6-10(2)19-13(7-9)20-14(21)8-22-16(20)15-11(17)4-3-5-12(15)18/h3-7,16H,8H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 336.82 g/mol, XLogP of 4.27, 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-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 501042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).