7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H10N2O2S — CID 70581292

IUPAC7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1nc2sccn2c(=O)c1-c1ccccc1
InChIInChI=1S/C13H10N2O2S/c1-17-11-10(9-5-3-2-4-6-9)12(16)15-7-8-18-13(15)14-11/h2-8H,1H3
InChIKeyUTUOTOUORMGMEZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.43
Rot. Bonds2

About 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 70581292) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID70581292
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1nc2sccn2c(=O)c1-c1ccccc1
InChIInChI=1S/C13H10N2O2S/c1-17-11-10(9-5-3-2-4-6-9)12(16)15-7-8-18-13(15)14-11/h2-8H,1H3
InChIKeyUTUOTOUORMGMEZ-UHFFFAOYSA-N
XLogP2.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 70581292) is 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1nc2sccn2c(=O)c1-c1ccccc1.
What is the InChIKey of 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UTUOTOUORMGMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-11-10(9-5-3-2-4-6-9)12(16)15-7-8-18-13(15)14-11/h2-8H,1H3.
What are the key properties of 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 258.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 70581292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).