4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one

C13H10N2O4S2 — CID 46891201

IUPAC4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one
SMILESCOc1cc(CS(=O)c2nc3cccnc3s2)oc(=O)c1
InChIInChI=1S/C13H10N2O4S2/c1-18-8-5-9(19-11(16)6-8)7-21(17)13-15-10-3-2-4-14-12(10)20-13/h2-6H,7H2,1H3
InChIKeyILIMWMDSJRDGKI-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.96
Rot. Bonds4

About 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one

4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one (PubChem CID 46891201) has the molecular formula C13H10N2O4S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one
PubChem CID46891201
Molecular FormulaC13H10N2O4S2
Molecular Weight322.37 g/mol
Exact Mass322.01
IUPAC Name4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one
SMILESCOc1cc(CS(=O)c2nc3cccnc3s2)oc(=O)c1
InChIInChI=1S/C13H10N2O4S2/c1-18-8-5-9(19-11(16)6-8)7-21(17)13-15-10-3-2-4-14-12(10)20-13/h2-6H,7H2,1H3
InChIKeyILIMWMDSJRDGKI-UHFFFAOYSA-N
XLogP1.96
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one?
The IUPAC name of 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one (CID 46891201) is 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one.
What is the SMILES notation for 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one?
The canonical SMILES for 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one is COc1cc(CS(=O)c2nc3cccnc3s2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one?
The InChIKey is ILIMWMDSJRDGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S2/c1-18-8-5-9(19-11(16)6-8)7-21(17)13-15-10-3-2-4-14-12(10)20-13/h2-6H,7H2,1H3.
What are the key properties of 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one?
4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one has a molecular weight of 322.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinylmethyl)pyran-2-one is sourced from PubChem (CID 46891201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).