2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine

C13H7N3OS — CID 54579820

IUPAC2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(-c3ccc4ncsc4c3)oc2c1
InChIInChI=1S/C13H7N3OS/c1-2-10-12(14-5-1)16-13(17-10)8-3-4-9-11(6-8)18-7-15-9/h1-7H
InChIKeyPGEFANMDQUBHRB-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.50
Rot. Bonds1

About 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine

2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 54579820) has the molecular formula C13H7N3OS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID54579820
Molecular FormulaC13H7N3OS
Molecular Weight253.29 g/mol
Exact Mass253.03
IUPAC Name2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2nc(-c3ccc4ncsc4c3)oc2c1
InChIInChI=1S/C13H7N3OS/c1-2-10-12(14-5-1)16-13(17-10)8-3-4-9-11(6-8)18-7-15-9/h1-7H
InChIKeyPGEFANMDQUBHRB-UHFFFAOYSA-N
XLogP3.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 72205264
2-(1,3-Benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
CID 44554967
N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 687454
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 720771
6-(1,3-Benzoxazol-2-yl)-1,3-benzothiazol-2-amine
CID 810326
2-(1,3-Benzothiazol-6-yl)-1,3-benzoxazole
CID 21959451
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 72204712
N-[4-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 72205077
2-[2-(4-Fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine
CID 155525230
2-(2-(Methylthio)phenyl)oxazolo[4,5-b]pyridine
CID 12461383
N-(6-Ethoxy-1,3-benzothiazol-2-YL)-2-{[1,3]oxazolo[4,5-B]pyridin-2-ylsulfanyl}acetamide
CID 22587575
US11248001, Example 102
CID 154653541

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 54579820) is 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine is c1cnc2nc(-c3ccc4ncsc4c3)oc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is PGEFANMDQUBHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3OS/c1-2-10-12(14-5-1)16-13(17-10)8-3-4-9-11(6-8)18-7-15-9/h1-7H.
What are the key properties of 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine?
2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 253.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 54579820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).