2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one

C11H6N2O2S — CID 3073329

IUPAC2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one
SMILESO=c1cc(-c2nccs2)oc2cccnc12
InChIInChI=1S/C11H6N2O2S/c14-7-6-9(11-13-4-5-16-11)15-8-2-1-3-12-10(7)8/h1-6H
InChIKeyZYWMWKABKQHNEW-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.31
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one

2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one (PubChem CID 3073329) has the molecular formula C11H6N2O2S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one
PubChem CID3073329
Molecular FormulaC11H6N2O2S
Molecular Weight230.25 g/mol
Exact Mass230.01
IUPAC Name2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one
SMILESO=c1cc(-c2nccs2)oc2cccnc12
InChIInChI=1S/C11H6N2O2S/c14-7-6-9(11-13-4-5-16-11)15-8-2-1-3-12-10(7)8/h1-6H
InChIKeyZYWMWKABKQHNEW-UHFFFAOYSA-N
XLogP2.31
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one?
The IUPAC name of 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one (CID 3073329) is 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one?
The canonical SMILES for 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one is O=c1cc(-c2nccs2)oc2cccnc12.
What is the InChIKey of 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one?
The InChIKey is ZYWMWKABKQHNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2S/c14-7-6-9(11-13-4-5-16-11)15-8-2-1-3-12-10(7)8/h1-6H.
What are the key properties of 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one?
2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one has a molecular weight of 230.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one is sourced from PubChem (CID 3073329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).