3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one

C15H11F2N3OS — CID 86799185

IUPAC3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nc(-c3c(F)cccc3F)cs2)cn1
InChIInChI=1S/C15H11F2N3OS/c1-9-5-14(21)20(8-18-9)6-13-19-12(7-22-13)15-10(16)3-2-4-11(15)17/h2-5,7-8H,6H2,1H3
InChIKeyHIMYLCNWVHDCGR-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.00
Rot. Bonds3

About 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one

3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one (PubChem CID 86799185) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one
PubChem CID86799185
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2nc(-c3c(F)cccc3F)cs2)cn1
InChIInChI=1S/C15H11F2N3OS/c1-9-5-14(21)20(8-18-9)6-13-19-12(7-22-13)15-10(16)3-2-4-11(15)17/h2-5,7-8H,6H2,1H3
InChIKeyHIMYLCNWVHDCGR-UHFFFAOYSA-N
XLogP3.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one (CID 86799185) is 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(Cc2nc(-c3c(F)cccc3F)cs2)cn1.
What is the InChIKey of 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one?
The InChIKey is HIMYLCNWVHDCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c1-9-5-14(21)20(8-18-9)6-13-19-12(7-22-13)15-10(16)3-2-4-11(15)17/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one?
3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one has a molecular weight of 319.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 86799185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).