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

C14H17NO3S — CID 83035384

IUPAC3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCCc1ccc(-c2sc(C(=O)O)c(N)c2C(C)C)o1
InChIInChI=1S/C14H17NO3S/c1-4-8-5-6-9(18-8)12-10(7(2)3)11(15)13(19-12)14(16)17/h5-7H,4,15H2,1-3H3,(H,16,17)
InChIKeyGDAJSCNHJKTNAS-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.97
Rot. Bonds4

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

3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid (PubChem CID 83035384) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
PubChem CID83035384
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
SMILESCCc1ccc(-c2sc(C(=O)O)c(N)c2C(C)C)o1
InChIInChI=1S/C14H17NO3S/c1-4-8-5-6-9(18-8)12-10(7(2)3)11(15)13(19-12)14(16)17/h5-7H,4,15H2,1-3H3,(H,16,17)
InChIKeyGDAJSCNHJKTNAS-UHFFFAOYSA-N
XLogP3.97
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.97
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-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid (CID 83035384) is 3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid is CCc1ccc(-c2sc(C(=O)O)c(N)c2C(C)C)o1.
What is the InChIKey of 3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
The InChIKey is GDAJSCNHJKTNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-4-8-5-6-9(18-8)12-10(7(2)3)11(15)13(19-12)14(16)17/h5-7H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid?
3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-ethylfuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 83035384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).