(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate

C15H10F2N2O4S — CID 2691682

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1OC(F)F
InChIInChI=1S/C15H10F2N2O4S/c16-14(17)23-11-4-2-1-3-10(11)13(21)22-8-9-7-12(20)19-5-6-24-15(19)18-9/h1-7,14H,8H2
InChIKeyVBLOEUUXASJMEA-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.71
Rot. Bonds5

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate (PubChem CID 2691682) has the molecular formula C15H10F2N2O4S and a molecular weight of 352.32 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate
PubChem CID2691682
Molecular FormulaC15H10F2N2O4S
Molecular Weight352.32 g/mol
Exact Mass352.03
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1OC(F)F
InChIInChI=1S/C15H10F2N2O4S/c16-14(17)23-11-4-2-1-3-10(11)13(21)22-8-9-7-12(20)19-5-6-24-15(19)18-9/h1-7,14H,8H2
InChIKeyVBLOEUUXASJMEA-UHFFFAOYSA-N
XLogP2.71
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate (CID 2691682) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1OC(F)F.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate?
The InChIKey is VBLOEUUXASJMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4S/c16-14(17)23-11-4-2-1-3-10(11)13(21)22-8-9-7-12(20)19-5-6-24-15(19)18-9/h1-7,14H,8H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate has a molecular weight of 352.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 2691682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).