3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid

C13H15NO3S — CID 83034431

IUPAC3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCc1ccc(-c2sc(C(=O)O)c(N)c2C(C)C)o1
InChIInChI=1S/C13H15NO3S/c1-6(2)9-10(14)12(13(15)16)18-11(9)8-5-4-7(3)17-8/h4-6H,14H2,1-3H3,(H,15,16)
InChIKeyGVBNEIMLUORAPO-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.72
Rot. Bonds3

About 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid

3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid (PubChem CID 83034431) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
PubChem CID83034431
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCc1ccc(-c2sc(C(=O)O)c(N)c2C(C)C)o1
InChIInChI=1S/C13H15NO3S/c1-6(2)9-10(14)12(13(15)16)18-11(9)8-5-4-7(3)17-8/h4-6H,14H2,1-3H3,(H,15,16)
InChIKeyGVBNEIMLUORAPO-UHFFFAOYSA-N
XLogP3.72
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid (CID 83034431) is 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid is Cc1ccc(-c2sc(C(=O)O)c(N)c2C(C)C)o1.
What is the InChIKey of 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The InChIKey is GVBNEIMLUORAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-6(2)9-10(14)12(13(15)16)18-11(9)8-5-4-7(3)17-8/h4-6H,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-methylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 83034431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).