4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid

C12H10N4O3S — CID 80731354

IUPAC4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H10N4O3S/c1-7-8(5-10(20-7)12(17)18)6-16-14-11(13-15-16)9-3-2-4-19-9/h2-5H,6H2,1H3,(H,17,18)
InChIKeyFMBYKDLVJIVTTC-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.05
Rot. Bonds4

About 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid

4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 80731354) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid
PubChem CID80731354
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H10N4O3S/c1-7-8(5-10(20-7)12(17)18)6-16-14-11(13-15-16)9-3-2-4-19-9/h2-5H,6H2,1H3,(H,17,18)
InChIKeyFMBYKDLVJIVTTC-UHFFFAOYSA-N
XLogP2.05
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid (CID 80731354) is 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is FMBYKDLVJIVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c1-7-8(5-10(20-7)12(17)18)6-16-14-11(13-15-16)9-3-2-4-19-9/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid?
4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 290.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 80731354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).