4-amino-5-propylthiophene-3-carboxylic acid

C8H11NO2S — CID 13286158

IUPAC4-amino-5-propylthiophene-3-carboxylic acid
SMILESCCCc1scc(C(=O)O)c1N
InChIInChI=1S/C8H11NO2S/c1-2-3-6-7(9)5(4-12-6)8(10)11/h4H,2-3,9H2,1H3,(H,10,11)
InChIKeyNWERDHCQVWJODH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.98
Rot. Bonds3

About 4-amino-5-propylthiophene-3-carboxylic acid

4-amino-5-propylthiophene-3-carboxylic acid (PubChem CID 13286158) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-amino-5-propylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-propylthiophene-3-carboxylic acid
PubChem CID13286158
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-amino-5-propylthiophene-3-carboxylic acid
SMILESCCCc1scc(C(=O)O)c1N
InChIInChI=1S/C8H11NO2S/c1-2-3-6-7(9)5(4-12-6)8(10)11/h4H,2-3,9H2,1H3,(H,10,11)
InChIKeyNWERDHCQVWJODH-UHFFFAOYSA-N
XLogP1.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propylthiophene-3-carboxylic acid?
The IUPAC name of 4-amino-5-propylthiophene-3-carboxylic acid (CID 13286158) is 4-amino-5-propylthiophene-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-propylthiophene-3-carboxylic acid?
The canonical SMILES for 4-amino-5-propylthiophene-3-carboxylic acid is CCCc1scc(C(=O)O)c1N.
What is the InChIKey of 4-amino-5-propylthiophene-3-carboxylic acid?
The InChIKey is NWERDHCQVWJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-2-3-6-7(9)5(4-12-6)8(10)11/h4H,2-3,9H2,1H3,(H,10,11).
What are the key properties of 4-amino-5-propylthiophene-3-carboxylic acid?
4-amino-5-propylthiophene-3-carboxylic acid has a molecular weight of 185.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propylthiophene-3-carboxylic acid is sourced from PubChem (CID 13286158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).