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

C12H12N2O3S — CID 7717284

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1CCC1
InChIInChI=1S/C12H12N2O3S/c15-10-6-9(13-12-14(10)4-5-18-12)7-17-11(16)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyAZOJGNKURKAVJF-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.60
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate (PubChem CID 7717284) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate
PubChem CID7717284
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)C1CCC1
InChIInChI=1S/C12H12N2O3S/c15-10-6-9(13-12-14(10)4-5-18-12)7-17-11(16)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyAZOJGNKURKAVJF-UHFFFAOYSA-N
XLogP1.60
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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 cyclobutanecarboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate (CID 7717284) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate is O=C(OCc1cc(=O)n2ccsc2n1)C1CCC1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate?
The InChIKey is AZOJGNKURKAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-10-6-9(13-12-14(10)4-5-18-12)7-17-11(16)8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate has a molecular weight of 264.31 g/mol, XLogP of 1.60, 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 cyclobutanecarboxylate is sourced from PubChem (CID 7717284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).