2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone

C11H8BrFN2OS — CID 105090766

IUPAC2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1nnsc1C(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C11H8BrFN2OS/c1-6-11(17-15-14-6)10(16)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4H2,1H3
InChIKeyZQYHHPGPHNZEEP-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone (PubChem CID 105090766) has the molecular formula C11H8BrFN2OS and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
PubChem CID105090766
Molecular FormulaC11H8BrFN2OS
Molecular Weight315.17 g/mol
Exact Mass313.95
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1nnsc1C(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C11H8BrFN2OS/c1-6-11(17-15-14-6)10(16)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4H2,1H3
InChIKeyZQYHHPGPHNZEEP-UHFFFAOYSA-N
XLogP3.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105079495
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone
CID 114968514
2-(4-bromo-2-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 114968519
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 107311606
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
CID 114968520
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114968547
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone (CID 105090766) is 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone is Cc1nnsc1C(=O)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The InChIKey is ZQYHHPGPHNZEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2OS/c1-6-11(17-15-14-6)10(16)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone has a molecular weight of 315.17 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105090766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).