(3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone

C9H7BrN2O2S — CID 105101724

IUPAC(3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)c1occc1Br
InChIInChI=1S/C9H7BrN2O2S/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4H,2H2,1H3
InChIKeyWFENGFBJLOIUAJ-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.69
Rot. Bonds3

About (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone

(3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 105101724) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone
PubChem CID105101724
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Name(3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)c1occc1Br
InChIInChI=1S/C9H7BrN2O2S/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4H,2H2,1H3
InChIKeyWFENGFBJLOIUAJ-UHFFFAOYSA-N
XLogP2.69
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone (CID 105101724) is (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is WFENGFBJLOIUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c1-2-6-9(15-12-11-6)7(13)8-5(10)3-4-14-8/h3-4H,2H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone?
(3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 287.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105101724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).