3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid

C11H8N4O3S — CID 55246477

IUPAC3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C11H8N4O3S/c16-11(17)9-7(3-5-19-9)6-15-13-10(12-14-15)8-2-1-4-18-8/h1-5H,6H2,(H,16,17)
InChIKeyYBKQSUAWIVNFRI-UHFFFAOYSA-N
MW276.28 g/mol
LogP1.74
Rot. Bonds4

About 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid

3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 55246477) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid
PubChem CID55246477
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC Name3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C11H8N4O3S/c16-11(17)9-7(3-5-19-9)6-15-13-10(12-14-15)8-2-1-4-18-8/h1-5H,6H2,(H,16,17)
InChIKeyYBKQSUAWIVNFRI-UHFFFAOYSA-N
XLogP1.74
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-methyl-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]furan-3-carboxylate
CID 8389369
Methyl 3-methyl-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]furan-2-carboxylate
CID 47025882
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
2-[[5-(Furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid
CID 61057191
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-(3-Bromothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]ethanone
CID 62025475
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
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62566793
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 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid (CID 55246477) is 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is YBKQSUAWIVNFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S/c16-11(17)9-7(3-5-19-9)6-15-13-10(12-14-15)8-2-1-4-18-8/h1-5H,6H2,(H,16,17).
What are the key properties of 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid?
3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 276.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55246477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).