(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate

C17H14F2N2O5S — CID 7712108

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate
SMILESCCOc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O5S/c1-2-24-13-7-10(3-4-12(13)26-16(18)19)15(23)25-9-11-8-14(22)21-5-6-27-17(21)20-11/h3-8,16H,2,9H2,1H3
InChIKeyAXMRMRNUMZSMBE-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.11
Rot. Bonds7

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate (PubChem CID 7712108) has the molecular formula C17H14F2N2O5S and a molecular weight of 396.37 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate
PubChem CID7712108
Molecular FormulaC17H14F2N2O5S
Molecular Weight396.37 g/mol
Exact Mass396.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate
SMILESCCOc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O5S/c1-2-24-13-7-10(3-4-12(13)26-16(18)19)15(23)25-9-11-8-14(22)21-5-6-27-17(21)20-11/h3-8,16H,2,9H2,1H3
InChIKeyAXMRMRNUMZSMBE-UHFFFAOYSA-N
XLogP3.11
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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 4-(difluoromethoxy)-3-ethoxybenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate (CID 7712108) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate is CCOc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1OC(F)F.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate?
The InChIKey is AXMRMRNUMZSMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O5S/c1-2-24-13-7-10(3-4-12(13)26-16(18)19)15(23)25-9-11-8-14(22)21-5-6-27-17(21)20-11/h3-8,16H,2,9H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate has a molecular weight of 396.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)-3-ethoxybenzoate is sourced from PubChem (CID 7712108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).