4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid

C16H14N2O2S — CID 53325334

IUPAC4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2c(NCCc2ccccc2)n1
InChIInChI=1S/C16H14N2O2S/c19-16(20)13-10-14-12(7-9-21-14)15(18-13)17-8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,17,18)(H,19,20)
InChIKeyLPNANGSAXRSTFM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.65
Rot. Bonds5

About 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid

4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53325334) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53325334
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2c(NCCc2ccccc2)n1
InChIInChI=1S/C16H14N2O2S/c19-16(20)13-10-14-12(7-9-21-14)15(18-13)17-8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,17,18)(H,19,20)
InChIKeyLPNANGSAXRSTFM-UHFFFAOYSA-N
XLogP3.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941855
4-(3-Chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53316657
4-Anilinothieno[3,2-c]pyridine-6-carboxylic acid
CID 53317960
4-[3-(Methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53317962
4-[2-(Dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320598
4-(2-Methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320599
4-(3-Methoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53321671
4-(3-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323250
4-(3-Ethynylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323251
4-(4-Chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53324596
4-(4-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325886
4-[2-(Dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941858

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid (CID 53325334) is 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid is O=C(O)c1cc2sccc2c(NCCc2ccccc2)n1.
What is the InChIKey of 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is LPNANGSAXRSTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(20)13-10-14-12(7-9-21-14)15(18-13)17-8-6-11-4-2-1-3-5-11/h1-5,7,9-10H,6,8H2,(H,17,18)(H,19,20).
What are the key properties of 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid?
4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 298.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53325334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).