2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone

C11H11BrN2OS2 — CID 105092769

IUPAC2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1sccc1Br
InChIInChI=1S/C11H11BrN2OS2/c1-2-3-8-11(17-14-13-8)9(15)6-10-7(12)4-5-16-10/h4-5H,2-3,6H2,1H3
InChIKeyOGCBYOIHQUBCMH-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.74
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone

2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 105092769) has the molecular formula C11H11BrN2OS2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID105092769
Molecular FormulaC11H11BrN2OS2
Molecular Weight331.26 g/mol
Exact Mass329.95
IUPAC Name2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1sccc1Br
InChIInChI=1S/C11H11BrN2OS2/c1-2-3-8-11(17-14-13-8)9(15)6-10-7(12)4-5-16-10/h4-5H,2-3,6H2,1H3
InChIKeyOGCBYOIHQUBCMH-UHFFFAOYSA-N
XLogP3.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105118151
(3-bromothiophen-2-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 105122356
2-(1-methyltriazol-4-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 107063006
[2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethyl]hydrazine
CID 105299495
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105111680
2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105139611
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
(4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone
CID 105104983
2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone
CID 103449846
2-(3-bromothiophen-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 114969743
1-(3-bromothiophen-2-yl)-3-hydroxyhexan-2-one
CID 103453721
2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105079140

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone (CID 105092769) is 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)Cc1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is OGCBYOIHQUBCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS2/c1-2-3-8-11(17-14-13-8)9(15)6-10-7(12)4-5-16-10/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone?
2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 331.26 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105092769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).