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

C11H8N4O3S — CID 63377910

IUPAC5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2nnc(-c3ccco3)n2)s1
InChIInChI=1S/C11H8N4O3S/c16-11(17)9-4-3-7(19-9)6-15-13-10(12-14-15)8-2-1-5-18-8/h1-5H,6H2,(H,16,17)
InChIKeySYNPHEDIODOXLV-UHFFFAOYSA-N
MW276.28 g/mol
LogP1.74
Rot. Bonds4

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

5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 63377910) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid
PubChem CID63377910
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC Name5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2nnc(-c3ccco3)n2)s1
InChIInChI=1S/C11H8N4O3S/c16-11(17)9-4-3-7(19-9)6-15-13-10(12-14-15)8-2-1-5-18-8/h1-5H,6H2,(H,16,17)
InChIKeySYNPHEDIODOXLV-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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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid (CID 63377910) is 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2nnc(-c3ccco3)n2)s1.
What is the InChIKey of 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is SYNPHEDIODOXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S/c16-11(17)9-4-3-7(19-9)6-15-13-10(12-14-15)8-2-1-5-18-8/h1-5H,6H2,(H,16,17).
What are the key properties of 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid?
5-[[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 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).