2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one

C16H12F4N2OS — CID 44582934

IUPAC2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(F)cccc2C(F)(F)F)c1
InChIInChI=1S/C16H12F4N2OS/c1-9-5-6-21-12(7-9)22-13(23)8-24-15(22)14-10(16(18,19)20)3-2-4-11(14)17/h2-7,15H,8H2,1H3
InChIKeyXKIKBGHCXGHLBI-UHFFFAOYSA-N
MW356.34 g/mol
LogP4.33
Rot. Bonds2

About 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one

2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 44582934) has the molecular formula C16H12F4N2OS and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID44582934
Molecular FormulaC16H12F4N2OS
Molecular Weight356.34 g/mol
Exact Mass356.06
IUPAC Name2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1ccnc(N2C(=O)CSC2c2c(F)cccc2C(F)(F)F)c1
InChIInChI=1S/C16H12F4N2OS/c1-9-5-6-21-12(7-9)22-13(23)8-24-15(22)14-10(16(18,19)20)3-2-4-11(14)17/h2-7,15H,8H2,1H3
InChIKeyXKIKBGHCXGHLBI-UHFFFAOYSA-N
XLogP4.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one (CID 44582934) is 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is Cc1ccnc(N2C(=O)CSC2c2c(F)cccc2C(F)(F)F)c1.
What is the InChIKey of 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is XKIKBGHCXGHLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2OS/c1-9-5-6-21-12(7-9)22-13(23)8-24-15(22)14-10(16(18,19)20)3-2-4-11(14)17/h2-7,15H,8H2,1H3.
What are the key properties of 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one?
2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 356.34 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44582934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).