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

C13H14N2O3S — CID 7717376

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate
SMILESCc1csc2nc(COC(=O)C3CCC3)cc(=O)n12
InChIInChI=1S/C13H14N2O3S/c1-8-7-19-13-14-10(5-11(16)15(8)13)6-18-12(17)9-3-2-4-9/h5,7,9H,2-4,6H2,1H3
InChIKeyMSDKIJMZLZNGGP-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.91
Rot. Bonds3

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate (PubChem CID 7717376) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate
PubChem CID7717376
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate
SMILESCc1csc2nc(COC(=O)C3CCC3)cc(=O)n12
InChIInChI=1S/C13H14N2O3S/c1-8-7-19-13-14-10(5-11(16)15(8)13)6-18-12(17)9-3-2-4-9/h5,7,9H,2-4,6H2,1H3
InChIKeyMSDKIJMZLZNGGP-UHFFFAOYSA-N
XLogP1.91
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate (CID 7717376) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate is Cc1csc2nc(COC(=O)C3CCC3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate?
The InChIKey is MSDKIJMZLZNGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-7-19-13-14-10(5-11(16)15(8)13)6-18-12(17)9-3-2-4-9/h5,7,9H,2-4,6H2,1H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate has a molecular weight of 278.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl cyclobutanecarboxylate is sourced from PubChem (CID 7717376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).