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

C11H12N2O3S — CID 20946480

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate
SMILESCCC(=O)OCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C11H12N2O3S/c1-3-10(15)16-5-8-4-9(14)13-7(2)6-17-11(13)12-8/h4,6H,3,5H2,1-2H3
InChIKeyRJUWXJXSLITOMC-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.52
Rot. Bonds3

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate (PubChem CID 20946480) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate
PubChem CID20946480
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate
SMILESCCC(=O)OCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C11H12N2O3S/c1-3-10(15)16-5-8-4-9(14)13-7(2)6-17-11(13)12-8/h4,6H,3,5H2,1-2H3
InChIKeyRJUWXJXSLITOMC-UHFFFAOYSA-N
XLogP1.52
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.52
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 propanoate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate (CID 20946480) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate is CCC(=O)OCc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate?
The InChIKey is RJUWXJXSLITOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-10(15)16-5-8-4-9(14)13-7(2)6-17-11(13)12-8/h4,6H,3,5H2,1-2H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate has a molecular weight of 252.29 g/mol, XLogP of 1.52, 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 propanoate is sourced from PubChem (CID 20946480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).