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

C10H10N2O3S — CID 20946469

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate
SMILESCCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H10N2O3S/c1-2-9(14)15-6-7-5-8(13)12-3-4-16-10(12)11-7/h3-5H,2,6H2,1H3
InChIKeyMRYNIHAWKOIAPX-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.21
Rot. Bonds3

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate (PubChem CID 20946469) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate
PubChem CID20946469
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate
SMILESCCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H10N2O3S/c1-2-9(14)15-6-7-5-8(13)12-3-4-16-10(12)11-7/h3-5H,2,6H2,1H3
InChIKeyMRYNIHAWKOIAPX-UHFFFAOYSA-N
XLogP1.21
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.21
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 propanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate (CID 20946469) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate is CCC(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate?
The InChIKey is MRYNIHAWKOIAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-9(14)15-6-7-5-8(13)12-3-4-16-10(12)11-7/h3-5H,2,6H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl propanoate has a molecular weight of 238.27 g/mol, XLogP of 1.21, 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 propanoate is sourced from PubChem (CID 20946469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).