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

C12H14N2O3S — CID 20946472

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C12H14N2O3S/c1-8(2)5-11(16)17-7-9-6-10(15)14-3-4-18-12(14)13-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyQZXJVUAIRGHVJP-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.85
Rot. Bonds4

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate (PubChem CID 20946472) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate
PubChem CID20946472
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C12H14N2O3S/c1-8(2)5-11(16)17-7-9-6-10(15)14-3-4-18-12(14)13-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyQZXJVUAIRGHVJP-UHFFFAOYSA-N
XLogP1.85
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate (CID 20946472) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate is CC(C)CC(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate?
The InChIKey is QZXJVUAIRGHVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8(2)5-11(16)17-7-9-6-10(15)14-3-4-18-12(14)13-9/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate has a molecular weight of 266.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbutanoate is sourced from PubChem (CID 20946472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).