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

C14H14BrFN2OS — CID 105083876

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
SMILESCC(C)(C)c1nnsc1C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C14H14BrFN2OS/c1-14(2,3)13-12(20-18-17-13)11(19)7-8-4-5-10(16)9(15)6-8/h4-6H,7H2,1-3H3
InChIKeyXCFVZGQZRVTPCZ-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.16
Rot. Bonds3

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

2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone (PubChem CID 105083876) has the molecular formula C14H14BrFN2OS and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
PubChem CID105083876
Molecular FormulaC14H14BrFN2OS
Molecular Weight357.25 g/mol
Exact Mass356.00
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
SMILESCC(C)(C)c1nnsc1C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C14H14BrFN2OS/c1-14(2,3)13-12(20-18-17-13)11(19)7-8-4-5-10(16)9(15)6-8/h4-6H,7H2,1-3H3
InChIKeyXCFVZGQZRVTPCZ-UHFFFAOYSA-N
XLogP4.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
CID 105121285
(3-bromo-2,6-difluorophenyl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 106944355
1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376814
2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 105083852
2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone
CID 54971269
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
(4-tert-butylthiadiazol-5-yl)-(2,6-difluorophenyl)methanone
CID 105100918
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114964825
2-(3-bromo-4-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63555057
1-[1-(2-aminoethyl)triazol-4-yl]-2-(3-bromo-4-fluorophenyl)ethanone
CID 116583137
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961
1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062904

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone (CID 105083876) is 2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone is CC(C)(C)c1nnsc1C(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone?
The InChIKey is XCFVZGQZRVTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2OS/c1-14(2,3)13-12(20-18-17-13)11(19)7-8-4-5-10(16)9(15)6-8/h4-6H,7H2,1-3H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone?
2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone has a molecular weight of 357.25 g/mol, XLogP of 4.16, 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-(4-tert-butylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105083876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).