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

C13H16N2O3S — CID 20946484

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate
SMILESCc1csc2nc(COC(=O)C(C)(C)C)cc(=O)n12
InChIInChI=1S/C13H16N2O3S/c1-8-7-19-12-14-9(5-10(16)15(8)12)6-18-11(17)13(2,3)4/h5,7H,6H2,1-4H3
InChIKeyOMELKVFWORKKBA-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.15
Rot. Bonds2

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate (PubChem CID 20946484) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate
PubChem CID20946484
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate
SMILESCc1csc2nc(COC(=O)C(C)(C)C)cc(=O)n12
InChIInChI=1S/C13H16N2O3S/c1-8-7-19-12-14-9(5-10(16)15(8)12)6-18-11(17)13(2,3)4/h5,7H,6H2,1-4H3
InChIKeyOMELKVFWORKKBA-UHFFFAOYSA-N
XLogP2.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate (CID 20946484) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate is Cc1csc2nc(COC(=O)C(C)(C)C)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is OMELKVFWORKKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8-7-19-12-14-9(5-10(16)15(8)12)6-18-11(17)13(2,3)4/h5,7H,6H2,1-4H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 280.35 g/mol, XLogP of 2.15, 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 2,2-dimethylpropanoate is sourced from PubChem (CID 20946484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).