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

C15H12N2O4S — CID 2653775

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C15H12N2O4S/c1-20-12-4-2-10(3-5-12)14(19)21-9-11-8-13(18)17-6-7-22-15(17)16-11/h2-8H,9H2,1H3
InChIKeyIOKSNDSJDIYAQV-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.12
Rot. Bonds4

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate (PubChem CID 2653775) 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 4-methoxybenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate
PubChem CID2653775
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C15H12N2O4S/c1-20-12-4-2-10(3-5-12)14(19)21-9-11-8-13(18)17-6-7-22-15(17)16-11/h2-8H,9H2,1H3
InChIKeyIOKSNDSJDIYAQV-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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Related Compounds

CID 2647201
CID 2647201
CID 7906517
CID 7906517
CID 7991588
CID 7991588
CID 2495626
CID 2495626
CID 2621404
CID 2621404
CID 2653827
CID 2653827
CID 7485680
CID 7485680
CID 2653716
CID 2653716
CID 2653720
CID 2653720
CID 8934227
CID 8934227
CID 16026816
CID 16026816
CID 5169602
CID 5169602

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate (CID 2653775) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate is COc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate?
The InChIKey is IOKSNDSJDIYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-20-12-4-2-10(3-5-12)14(19)21-9-11-8-13(18)17-6-7-22-15(17)16-11/h2-8H,9H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-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 4-methoxybenzoate is sourced from PubChem (CID 2653775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).