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

C10H12N2OS — CID 11127503

IUPAC2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCC(C)Cn1sc2ncccc2c1=O
InChIInChI=1S/C10H12N2OS/c1-7(2)6-12-10(13)8-4-3-5-11-9(8)14-12/h3-5,7H,6H2,1-2H3
InChIKeyHODJFSFDQRCCAY-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.11
Rot. Bonds2

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

2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 11127503) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID11127503
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCC(C)Cn1sc2ncccc2c1=O
InChIInChI=1S/C10H12N2OS/c1-7(2)6-12-10(13)8-4-3-5-11-9(8)14-12/h3-5,7H,6H2,1-2H3
InChIKeyHODJFSFDQRCCAY-UHFFFAOYSA-N
XLogP2.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 11127503) is 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is CC(C)Cn1sc2ncccc2c1=O.
What is the InChIKey of 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is HODJFSFDQRCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7(2)6-12-10(13)8-4-3-5-11-9(8)14-12/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 208.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 11127503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).