5-(4-bromo-3-fluorophenyl)-1,3-thiazole

C9H5BrFNS — CID 130114664

IUPAC5-(4-bromo-3-fluorophenyl)-1,3-thiazole
SMILESFc1cc(-c2cncs2)ccc1Br
InChIInChI=1S/C9H5BrFNS/c10-7-2-1-6(3-8(7)11)9-4-12-5-13-9/h1-5H
InChIKeyQMNRHVHKPNUXHI-UHFFFAOYSA-N
MW258.12 g/mol
LogP3.71
Rot. Bonds1

About 5-(4-bromo-3-fluorophenyl)-1,3-thiazole

5-(4-bromo-3-fluorophenyl)-1,3-thiazole (PubChem CID 130114664) has the molecular formula C9H5BrFNS and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)-1,3-thiazole
PubChem CID130114664
Molecular FormulaC9H5BrFNS
Molecular Weight258.12 g/mol
Exact Mass256.93
IUPAC Name5-(4-bromo-3-fluorophenyl)-1,3-thiazole
SMILESFc1cc(-c2cncs2)ccc1Br
InChIInChI=1S/C9H5BrFNS/c10-7-2-1-6(3-8(7)11)9-4-12-5-13-9/h1-5H
InChIKeyQMNRHVHKPNUXHI-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)-1,3-thiazole?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)-1,3-thiazole (CID 130114664) is 5-(4-bromo-3-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)-1,3-thiazole is Fc1cc(-c2cncs2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)-1,3-thiazole?
The InChIKey is QMNRHVHKPNUXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNS/c10-7-2-1-6(3-8(7)11)9-4-12-5-13-9/h1-5H.
What are the key properties of 5-(4-bromo-3-fluorophenyl)-1,3-thiazole?
5-(4-bromo-3-fluorophenyl)-1,3-thiazole has a molecular weight of 258.12 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 130114664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).