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

C15H12N2O3S — CID 2659529

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C15H12N2O3S/c1-10-3-2-4-11(7-10)14(19)20-9-12-8-13(18)17-5-6-21-15(17)16-12/h2-8H,9H2,1H3
InChIKeyVPMMMQCJBLWYDR-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.42
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate (PubChem CID 2659529) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
PubChem CID2659529
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C15H12N2O3S/c1-10-3-2-4-11(7-10)14(19)20-9-12-8-13(18)17-5-6-21-15(17)16-12/h2-8H,9H2,1H3
InChIKeyVPMMMQCJBLWYDR-UHFFFAOYSA-N
XLogP2.42
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-methylbenzoate
CID 7718007
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl benzoate
CID 135494071
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-phenylcyclopropane-1-carboxylate
CID 4828948
{3-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 4-fluorobenzoate
CID 7478323
{2-Ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl benzoate
CID 7614245
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-methylbenzoate
CID 16026736
{2-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 2-fluorobenzoate
CID 16026788
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methylsulfonylbenzoate
CID 2668941
Methyl 3-[(1,4,5-trimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzoate
CID 4521523
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate
CID 5127363
Methyl 4-[[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate
CID 1486649
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 4-fluorobenzoate
CID 2627165

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate (CID 2659529) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate is Cc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate?
The InChIKey is VPMMMQCJBLWYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-10-3-2-4-11(7-10)14(19)20-9-12-8-13(18)17-5-6-21-15(17)16-12/h2-8H,9H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate has a molecular weight of 300.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate is sourced from PubChem (CID 2659529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).