2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

C14H15BrN2O2S — CID 105083649

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1snnc1C(C)C
InChIInChI=1S/C14H15BrN2O2S/c1-8(2)13-14(20-17-16-13)11(18)7-9-6-10(15)4-5-12(9)19-3/h4-6,8H,7H2,1-3H3
InChIKeyGERTYRSOPPJXMP-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.86
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (PubChem CID 105083649) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
PubChem CID105083649
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1snnc1C(C)C
InChIInChI=1S/C14H15BrN2O2S/c1-8(2)13-14(20-17-16-13)11(18)7-9-6-10(15)4-5-12(9)19-3/h4-6,8H,7H2,1-3H3
InChIKeyGERTYRSOPPJXMP-UHFFFAOYSA-N
XLogP3.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 49172868
2-(3-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105080628
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039
(2R)-2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119244111
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105103824
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 114964535
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]propanoic acid
CID 60666746
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (CID 105083649) is 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is COc1ccc(Br)cc1CC(=O)c1snnc1C(C)C.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The InChIKey is GERTYRSOPPJXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-8(2)13-14(20-17-16-13)11(18)7-9-6-10(15)4-5-12(9)19-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone has a molecular weight of 355.26 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105083649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).