6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine

C12H5BrF2N2S — CID 130269882

IUPAC6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1ccc(-c2nc3cc(Br)ncc3s2)cc1F
InChIInChI=1S/C12H5BrF2N2S/c13-11-4-9-10(5-16-11)18-12(17-9)6-1-2-7(14)8(15)3-6/h1-5H
InChIKeyCCHHVTKSNUCTNY-UHFFFAOYSA-N
MW327.15 g/mol
LogP4.40
Rot. Bonds1

About 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine

6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 130269882) has the molecular formula C12H5BrF2N2S and a molecular weight of 327.15 g/mol. Its IUPAC name is 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine
PubChem CID130269882
Molecular FormulaC12H5BrF2N2S
Molecular Weight327.15 g/mol
Exact Mass325.93
IUPAC Name6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1ccc(-c2nc3cc(Br)ncc3s2)cc1F
InChIInChI=1S/C12H5BrF2N2S/c13-11-4-9-10(5-16-11)18-12(17-9)6-1-2-7(14)8(15)3-6/h1-5H
InChIKeyCCHHVTKSNUCTNY-UHFFFAOYSA-N
XLogP4.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine (CID 130269882) is 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine is Fc1ccc(-c2nc3cc(Br)ncc3s2)cc1F.
What is the InChIKey of 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is CCHHVTKSNUCTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrF2N2S/c13-11-4-9-10(5-16-11)18-12(17-9)6-1-2-7(14)8(15)3-6/h1-5H.
What are the key properties of 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine?
6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 327.15 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,4-difluorophenyl)-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 130269882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).