2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

C14H12N2O3S — CID 11778852

IUPAC2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCOc1ccc(OC)c(-n2sc3ncccc3c2=O)c1
InChIInChI=1S/C14H12N2O3S/c1-18-9-5-6-12(19-2)11(8-9)16-14(17)10-4-3-7-15-13(10)20-16/h3-8H,1-2H3
InChIKeyIRRSODHCSGXJNK-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.46
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 11778852) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID11778852
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCOc1ccc(OC)c(-n2sc3ncccc3c2=O)c1
InChIInChI=1S/C14H12N2O3S/c1-18-9-5-6-12(19-2)11(8-9)16-14(17)10-4-3-7-15-13(10)20-16/h3-8H,1-2H3
InChIKeyIRRSODHCSGXJNK-UHFFFAOYSA-N
XLogP2.46
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 11778852) is 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is COc1ccc(OC)c(-n2sc3ncccc3c2=O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is IRRSODHCSGXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-9-5-6-12(19-2)11(8-9)16-14(17)10-4-3-7-15-13(10)20-16/h3-8H,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 288.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 11778852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).