6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine

C12H7BrFN3S — CID 167073551

IUPAC6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC1=NCC=C(c2nc3ncc(Br)cc3s2)C=C1
InChIInChI=1S/C12H7BrFN3S/c13-8-5-9-11(16-6-8)17-12(18-9)7-1-2-10(14)15-4-3-7/h1-3,5-6H,4H2
InChIKeySLTLBFBSHSMXHE-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.78
Rot. Bonds1

About 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine

6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 167073551) has the molecular formula C12H7BrFN3S and a molecular weight of 324.18 g/mol. Its IUPAC name is 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID167073551
Molecular FormulaC12H7BrFN3S
Molecular Weight324.18 g/mol
Exact Mass322.95
IUPAC Name6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC1=NCC=C(c2nc3ncc(Br)cc3s2)C=C1
InChIInChI=1S/C12H7BrFN3S/c13-8-5-9-11(16-6-8)17-12(18-9)7-1-2-10(14)15-4-3-7/h1-3,5-6H,4H2
InChIKeySLTLBFBSHSMXHE-UHFFFAOYSA-N
XLogP3.78
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 167073551) is 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine is FC1=NCC=C(c2nc3ncc(Br)cc3s2)C=C1.
What is the InChIKey of 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is SLTLBFBSHSMXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3S/c13-8-5-9-11(16-6-8)17-12(18-9)7-1-2-10(14)15-4-3-7/h1-3,5-6H,4H2.
What are the key properties of 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 324.18 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(7-fluoro-2H-azepin-4-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 167073551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).