6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H10F2N2O2S — CID 66752947

IUPAC6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H10F2N2O2S/c1-8-11(12(19)18-6-7-21-14(18)17-8)9-2-4-10(5-3-9)20-13(15)16/h2-7,13H,1H3
InChIKeyOAGVIQHOZOUQCY-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.33
Rot. Bonds3

About 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66752947) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66752947
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Name6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H10F2N2O2S/c1-8-11(12(19)18-6-7-21-14(18)17-8)9-2-4-10(5-3-9)20-13(15)16/h2-7,13H,1H3
InChIKeyOAGVIQHOZOUQCY-UHFFFAOYSA-N
XLogP3.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66752947) is 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OAGVIQHOZOUQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c1-8-11(12(19)18-6-7-21-14(18)17-8)9-2-4-10(5-3-9)20-13(15)16/h2-7,13H,1H3.
What are the key properties of 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 308.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66752947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).