3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid

C15H14N2O3S3 — CID 118059009

IUPAC3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid
SMILESCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)O)c2c1N
InChIInChI=1S/C15H14N2O3S3/c1-2-6-23(20)15-12(16)11-8(14(18)19)7-9(17-13(11)22-15)10-4-3-5-21-10/h3-5,7H,2,6,16H2,1H3,(H,18,19)
InChIKeyPFZBBZVFQSMOKW-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.82
Rot. Bonds5

About 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid

3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid (PubChem CID 118059009) has the molecular formula C15H14N2O3S3 and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid
PubChem CID118059009
Molecular FormulaC15H14N2O3S3
Molecular Weight366.49 g/mol
Exact Mass366.02
IUPAC Name3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid
SMILESCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)O)c2c1N
InChIInChI=1S/C15H14N2O3S3/c1-2-6-23(20)15-12(16)11-8(14(18)19)7-9(17-13(11)22-15)10-4-3-5-21-10/h3-5,7H,2,6,16H2,1H3,(H,18,19)
InChIKeyPFZBBZVFQSMOKW-UHFFFAOYSA-N
XLogP3.82
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid (CID 118059009) is 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid is CCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)O)c2c1N.
What is the InChIKey of 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid?
The InChIKey is PFZBBZVFQSMOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S3/c1-2-6-23(20)15-12(16)11-8(14(18)19)7-9(17-13(11)22-15)10-4-3-5-21-10/h3-5,7H,2,6,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid?
3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid has a molecular weight of 366.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 118059009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).