2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one

C25H17ClFN3OS — CID 16728913

IUPAC2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C25H17ClFN3OS/c26-18-12-7-13-19(27)23(18)24-30(22(31)15-32-24)25-28-20(16-8-3-1-4-9-16)14-21(29-25)17-10-5-2-6-11-17/h1-14,24H,15H2
InChIKeyBLNVRICOAUESKO-UHFFFAOYSA-N
MW461.95 g/mol
LogP6.38
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one (PubChem CID 16728913) has the molecular formula C25H17ClFN3OS and a molecular weight of 461.95 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
PubChem CID16728913
Molecular FormulaC25H17ClFN3OS
Molecular Weight461.95 g/mol
Exact Mass461.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C25H17ClFN3OS/c26-18-12-7-13-19(27)23(18)24-30(22(31)15-32-24)25-28-20(16-8-3-1-4-9-16)14-21(29-25)17-10-5-2-6-11-17/h1-14,24H,15H2
InChIKeyBLNVRICOAUESKO-UHFFFAOYSA-N
XLogP6.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one (CID 16728913) is 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2Cl)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is BLNVRICOAUESKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN3OS/c26-18-12-7-13-19(27)23(18)24-30(22(31)15-32-24)25-28-20(16-8-3-1-4-9-16)14-21(29-25)17-10-5-2-6-11-17/h1-14,24H,15H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 461.95 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16728913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).