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

C11H12N2O3S — CID 7782367

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H12N2O3S/c1-7(2)10(15)16-6-8-5-9(14)13-3-4-17-11(13)12-8/h3-5,7H,6H2,1-2H3
InChIKeyYVLMIMIKSNRCKT-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.46
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate (PubChem CID 7782367) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
PubChem CID7782367
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H12N2O3S/c1-7(2)10(15)16-6-8-5-9(14)13-3-4-17-11(13)12-8/h3-5,7H,6H2,1-2H3
InChIKeyYVLMIMIKSNRCKT-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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 2-methylpropanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate (CID 7782367) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate is CC(C)C(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
The InChIKey is YVLMIMIKSNRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-7(2)10(15)16-6-8-5-9(14)13-3-4-17-11(13)12-8/h3-5,7H,6H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate has a molecular weight of 252.29 g/mol, XLogP of 1.46, 3 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 2-methylpropanoate is sourced from PubChem (CID 7782367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).