5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C12H11BrN2S — CID 87111668

IUPAC5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESBrN1CCc2nc(-c3ccccc3)sc2C1
InChIInChI=1S/C12H11BrN2S/c13-15-7-6-10-11(8-15)16-12(14-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyXSCYEOVGTUMGRC-UHFFFAOYSA-N
MW295.20 g/mol
LogP3.48
Rot. Bonds1

About 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 87111668) has the molecular formula C12H11BrN2S and a molecular weight of 295.20 g/mol. Its IUPAC name is 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID87111668
Molecular FormulaC12H11BrN2S
Molecular Weight295.20 g/mol
Exact Mass293.98
IUPAC Name5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESBrN1CCc2nc(-c3ccccc3)sc2C1
InChIInChI=1S/C12H11BrN2S/c13-15-7-6-10-11(8-15)16-12(14-10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyXSCYEOVGTUMGRC-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 87111668) is 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is BrN1CCc2nc(-c3ccccc3)sc2C1.
What is the InChIKey of 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is XSCYEOVGTUMGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c13-15-7-6-10-11(8-15)16-12(14-10)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 295.20 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 87111668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).