2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone

C10H6BrFN2OS — CID 105083852

IUPAC2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1ccc(F)c(Br)c1)c1cnns1
InChIInChI=1S/C10H6BrFN2OS/c11-7-3-6(1-2-8(7)12)4-9(15)10-5-13-14-16-10/h1-3,5H,4H2
InChIKeyUFTRTJPHEBOVFK-UHFFFAOYSA-N
MW301.14 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone

2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone (PubChem CID 105083852) has the molecular formula C10H6BrFN2OS and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
PubChem CID105083852
Molecular FormulaC10H6BrFN2OS
Molecular Weight301.14 g/mol
Exact Mass299.94
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1ccc(F)c(Br)c1)c1cnns1
InChIInChI=1S/C10H6BrFN2OS/c11-7-3-6(1-2-8(7)12)4-9(15)10-5-13-14-16-10/h1-3,5H,4H2
InChIKeyUFTRTJPHEBOVFK-UHFFFAOYSA-N
XLogP2.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 106267390
2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
CID 105083876
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 102622399
2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone
CID 54971269
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114964825
N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide
CID 103842612
2-(3-bromo-4-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63555057
1-(3-bromo-4-fluorophenyl)but-3-en-2-one
CID 103453521
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
2-(3,4-difluorophenyl)-N-(thiadiazol-5-yl)acetamide
CID 99833270

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone (CID 105083852) is 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone is O=C(Cc1ccc(F)c(Br)c1)c1cnns1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The InChIKey is UFTRTJPHEBOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2OS/c11-7-3-6(1-2-8(7)12)4-9(15)10-5-13-14-16-10/h1-3,5H,4H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone has a molecular weight of 301.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone is sourced from PubChem (CID 105083852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).