2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one

C13H10N2OS — CID 5271649

IUPAC2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1Cc1ccccc1
InChIInChI=1S/C13H10N2OS/c16-13-11-7-4-8-14-12(11)17-15(13)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyNPRPLCPSBYIKNR-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.51
Rot. Bonds2

About 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one

2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 5271649) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID5271649
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1Cc1ccccc1
InChIInChI=1S/C13H10N2OS/c16-13-11-7-4-8-14-12(11)17-15(13)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyNPRPLCPSBYIKNR-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 5271649) is 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one is O=c1c2cccnc2sn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is NPRPLCPSBYIKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-13-11-7-4-8-14-12(11)17-15(13)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 242.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 5271649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).