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

C12H14N2O3S — CID 20946481

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
SMILESCc1csc2nc(COC(=O)C(C)C)cc(=O)n12
InChIInChI=1S/C12H14N2O3S/c1-7(2)11(16)17-5-9-4-10(15)14-8(3)6-18-12(14)13-9/h4,6-7H,5H2,1-3H3
InChIKeyZWDVLXJUSKZYFZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.76
Rot. Bonds3

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate (PubChem CID 20946481) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
PubChem CID20946481
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
SMILESCc1csc2nc(COC(=O)C(C)C)cc(=O)n12
InChIInChI=1S/C12H14N2O3S/c1-7(2)11(16)17-5-9-4-10(15)14-8(3)6-18-12(14)13-9/h4,6-7H,5H2,1-3H3
InChIKeyZWDVLXJUSKZYFZ-UHFFFAOYSA-N
XLogP1.76
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.76
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 2-methylpropanoate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate (CID 20946481) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate is Cc1csc2nc(COC(=O)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-methylpropanoate?
The InChIKey is ZWDVLXJUSKZYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7(2)11(16)17-5-9-4-10(15)14-8(3)6-18-12(14)13-9/h4,6-7H,5H2,1-3H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate has a molecular weight of 266.32 g/mol, XLogP of 1.76, 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 2-methylpropanoate is sourced from PubChem (CID 20946481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).