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

C12H7ClN2OS — CID 10400502

IUPAC2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1-c1cccc(Cl)c1
InChIInChI=1S/C12H7ClN2OS/c13-8-3-1-4-9(7-8)15-12(16)10-5-2-6-14-11(10)17-15/h1-7H
InChIKeyZZFLQNSERNQTDI-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.10
Rot. Bonds1

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

2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 10400502) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID10400502
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1c2cccnc2sn1-c1cccc(Cl)c1
InChIInChI=1S/C12H7ClN2OS/c13-8-3-1-4-9(7-8)15-12(16)10-5-2-6-14-11(10)17-15/h1-7H
InChIKeyZZFLQNSERNQTDI-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 10400502) is 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is O=c1c2cccnc2sn1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is ZZFLQNSERNQTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-8-3-1-4-9(7-8)15-12(16)10-5-2-6-14-11(10)17-15/h1-7H.
What are the key properties of 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 262.72 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 10400502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).