2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine

C12H7N3O2S — CID 59680161

IUPAC2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3ncccc3s2)c1
InChIInChI=1S/C12H7N3O2S/c16-15(17)9-4-1-3-8(7-9)12-14-11-10(18-12)5-2-6-13-11/h1-7H
InChIKeyFAWFSVHQPCQINS-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.27
Rot. Bonds2

About 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine

2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 59680161) has the molecular formula C12H7N3O2S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID59680161
Molecular FormulaC12H7N3O2S
Molecular Weight257.27 g/mol
Exact Mass257.03
IUPAC Name2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3ncccc3s2)c1
InChIInChI=1S/C12H7N3O2S/c16-15(17)9-4-1-3-8(7-9)12-14-11-10(18-12)5-2-6-13-11/h1-7H
InChIKeyFAWFSVHQPCQINS-UHFFFAOYSA-N
XLogP3.27
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine (CID 59680161) is 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine is O=[N+]([O-])c1cccc(-c2nc3ncccc3s2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is FAWFSVHQPCQINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O2S/c16-15(17)9-4-1-3-8(7-9)12-14-11-10(18-12)5-2-6-13-11/h1-7H.
What are the key properties of 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine?
2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 257.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 59680161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).