1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone

C11H7BrN4O2S — CID 62025475

IUPAC1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccco2)n1)c1sccc1Br
InChIInChI=1S/C11H7BrN4O2S/c12-7-3-5-19-10(7)8(17)6-16-14-11(13-15-16)9-2-1-4-18-9/h1-5H,6H2
InChIKeyMLFNNQCZWBSSAD-UHFFFAOYSA-N
MW339.17 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone

1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone (PubChem CID 62025475) has the molecular formula C11H7BrN4O2S and a molecular weight of 339.17 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone
PubChem CID62025475
Molecular FormulaC11H7BrN4O2S
Molecular Weight339.17 g/mol
Exact Mass337.95
IUPAC Name1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccco2)n1)c1sccc1Br
InChIInChI=1S/C11H7BrN4O2S/c12-7-3-5-19-10(7)8(17)6-16-14-11(13-15-16)9-2-1-4-18-9/h1-5H,6H2
InChIKeyMLFNNQCZWBSSAD-UHFFFAOYSA-N
XLogP2.64
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45808496
2-[2-(Benzenesulfinyl)ethyl]-5-(furan-2-yl)tetrazole
CID 51081345
3-[[5-(Furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid
CID 55246477
1-(5-Bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone
CID 60774190
2-[5-(Furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone
CID 60774204
4-[5-(Furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one
CID 62024736
1-(2,5-Dibromothiophen-3-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone
CID 62025098
1-(5-Chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one
CID 62025284
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-1-thiophen-2-ylethanamine
CID 62565889
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-2-ylethanamine
CID 62565890
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)ethanamine
CID 62566249
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]-2-thiophen-3-ylethanamine
CID 62566795

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone (CID 62025475) is 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2ccco2)n1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone?
The InChIKey is MLFNNQCZWBSSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O2S/c12-7-3-5-19-10(7)8(17)6-16-14-11(13-15-16)9-2-1-4-18-9/h1-5H,6H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone?
1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone has a molecular weight of 339.17 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 62025475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).