2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one

C14H8F5N3O2S — CID 135585391

IUPAC2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C14H8F5N3O2S/c15-6-2-1-3-7(16)11(6)12-22(10(24)5-25-12)13-20-8(14(17,18)19)4-9(23)21-13/h1-4,12H,5H2,(H,20,21,23)
InChIKeyOKAKHCQIBYJTRZ-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.85
Rot. Bonds2

About 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one

2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one (PubChem CID 135585391) has the molecular formula C14H8F5N3O2S and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one
PubChem CID135585391
Molecular FormulaC14H8F5N3O2S
Molecular Weight377.29 g/mol
Exact Mass377.03
IUPAC Name2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C14H8F5N3O2S/c15-6-2-1-3-7(16)11(6)12-22(10(24)5-25-12)13-20-8(14(17,18)19)4-9(23)21-13/h1-4,12H,5H2,(H,20,21,23)
InChIKeyOKAKHCQIBYJTRZ-UHFFFAOYSA-N
XLogP2.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one (CID 135585391) is 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2F)N1c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is OKAKHCQIBYJTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O2S/c15-6-2-1-3-7(16)11(6)12-22(10(24)5-25-12)13-20-8(14(17,18)19)4-9(23)21-13/h1-4,12H,5H2,(H,20,21,23).
What are the key properties of 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 377.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135585391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).