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

C15H12N2O4S — CID 2653720

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H12N2O4S/c1-20-12-5-3-2-4-11(12)14(19)21-9-10-8-13(18)17-6-7-22-15(17)16-10/h2-8H,9H2,1H3
InChIKeyGZZHSBYKKWEFFG-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.12
Rot. Bonds4

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate (PubChem CID 2653720) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
PubChem CID2653720
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H12N2O4S/c1-20-12-5-3-2-4-11(12)14(19)21-9-10-8-13(18)17-6-7-22-15(17)16-10/h2-8H,9H2,1H3
InChIKeyGZZHSBYKKWEFFG-UHFFFAOYSA-N
XLogP2.12
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.12
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-methoxybenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate (CID 2653720) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate is COc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
The InChIKey is GZZHSBYKKWEFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-20-12-5-3-2-4-11(12)14(19)21-9-10-8-13(18)17-6-7-22-15(17)16-10/h2-8H,9H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate has a molecular weight of 316.34 g/mol, XLogP of 2.12, 4 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-methoxybenzoate is sourced from PubChem (CID 2653720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).