1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone

C8H5BrN2OS2 — CID 130550296

IUPAC1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)c1cc(Br)cs1
InChIInChI=1S/C8H5BrN2OS2/c9-5-1-8(13-3-5)7(12)2-6-4-14-11-10-6/h1,3-4H,2H2
InChIKeyGZEJSNBXJAEROH-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone

1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone (PubChem CID 130550296) has the molecular formula C8H5BrN2OS2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone
PubChem CID130550296
Molecular FormulaC8H5BrN2OS2
Molecular Weight289.18 g/mol
Exact Mass287.90
IUPAC Name1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)c1cc(Br)cs1
InChIInChI=1S/C8H5BrN2OS2/c9-5-1-8(13-3-5)7(12)2-6-4-14-11-10-6/h1,3-4H,2H2
InChIKeyGZEJSNBXJAEROH-UHFFFAOYSA-N
XLogP2.79
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone
CID 130550621
1-(4-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291002
1-(4-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82480445
4-(4-bromothiophen-2-yl)-2-methyl-4-oxobutanoic acid
CID 116918430
2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
CID 115801115
3-hydroxy-3-methyl-1-(thiadiazol-4-yl)butan-2-one
CID 130550346
1-(4-bromothiophen-2-yl)-4-chlorobutan-1-one
CID 15818846
1-(5-fluoro-2-pyridinyl)-2-(thiadiazol-4-yl)ethanone
CID 130550310
2-[[2-(4-bromothiophen-2-yl)-2-oxoethyl]amino]propanoic acid
CID 82489807
1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793438
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361
methyl 3-(4-bromothiophen-2-yl)-N-ethyl-3-oxopropanimidothioate
CID 54497177

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone (CID 130550296) is 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone is O=C(Cc1csnn1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone?
The InChIKey is GZEJSNBXJAEROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS2/c9-5-1-8(13-3-5)7(12)2-6-4-14-11-10-6/h1,3-4H,2H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone?
1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone has a molecular weight of 289.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 130550296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).