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

C10H10N2O3S — CID 20946478

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate
SMILESCC(=O)OCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C10H10N2O3S/c1-6-5-16-10-11-8(4-15-7(2)13)3-9(14)12(6)10/h3,5H,4H2,1-2H3
InChIKeyVHZDNGXOYNCGLA-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.13
Rot. Bonds2

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate (PubChem CID 20946478) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate
PubChem CID20946478
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate
SMILESCC(=O)OCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C10H10N2O3S/c1-6-5-16-10-11-8(4-15-7(2)13)3-9(14)12(6)10/h3,5H,4H2,1-2H3
InChIKeyVHZDNGXOYNCGLA-UHFFFAOYSA-N
XLogP1.13
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.13
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 acetate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate (CID 20946478) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate is CC(=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 acetate?
The InChIKey is VHZDNGXOYNCGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-6-5-16-10-11-8(4-15-7(2)13)3-9(14)12(6)10/h3,5H,4H2,1-2H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl acetate has a molecular weight of 238.27 g/mol, XLogP of 1.13, 2 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 acetate is sourced from PubChem (CID 20946478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).