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

C13H6FN3OS — CID 44554967

IUPAC2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc2nc(-c3ccc4ncsc4c3)oc2n1
InChIInChI=1S/C13H6FN3OS/c14-11-4-3-9-13(17-11)18-12(16-9)7-1-2-8-10(5-7)19-6-15-8/h1-6H
InChIKeyRVAIRAYWJVVUBP-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.64
Rot. Bonds1

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

2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44554967) has the molecular formula C13H6FN3OS and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44554967
Molecular FormulaC13H6FN3OS
Molecular Weight271.28 g/mol
Exact Mass271.02
IUPAC Name2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc2nc(-c3ccc4ncsc4c3)oc2n1
InChIInChI=1S/C13H6FN3OS/c14-11-4-3-9-13(17-11)18-12(16-9)7-1-2-8-10(5-7)19-6-15-8/h1-6H
InChIKeyRVAIRAYWJVVUBP-UHFFFAOYSA-N
XLogP3.64
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(4-(2-Fluorophenyl)oxazol-5-yl)benzo[d]thiazole
CID 44448086
6-(4-(2-Fluorophenyl)oxazol-5-yl)benzo[d]thiazol-2-amine
CID 44448087
2-(1,3-Benzothiazol-6-yl)-1,3-benzoxazole
CID 21959451
2-(1,3-Benzothiazol-6-yl)-1,3-benzoxazol-5-amine
CID 162666930
2-[2-(4-Fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 155538119
N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]thiazole-2-carboxamide
CID 163367405
5-Fluoro-2-(2-methyl-1,3-benzothiazol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44554965
6-(4-(4-Fluorophenyl)oxazol-5-yl)benzo[d]thiazol-2-amine
CID 57527157
2-Bromo-6-(4-(4-fluorophenyl)oxazol-5-yl)benzo[d]thiazole
CID 57527166
N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 58388097
CID 88993733
CID 88993733
5-[2-[(2R)-1-benzyl-2,6-dimethylpiperidin-4-yl]-4-fluoro-1,3-benzothiazol-6-yl]-2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridine
CID 153383175

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine (CID 44554967) is 2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine is Fc1ccc2nc(-c3ccc4ncsc4c3)oc2n1.
What is the InChIKey of 2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is RVAIRAYWJVVUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FN3OS/c14-11-4-3-9-13(17-11)18-12(16-9)7-1-2-8-10(5-7)19-6-15-8/h1-6H.
What are the key properties of 2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
2-(1,3-benzothiazol-6-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 271.28 g/mol, XLogP of 3.64, 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)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44554967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).