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

C20H14N2O2S — CID 25218747

IUPAC4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H14N2O2S/c23-20(24)18-10-16-17(11-21-12-19(16)25-18)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,22H,(H,23,24)
InChIKeyPJMDRNYVBADPKZ-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.41
Rot. Bonds4

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

4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 25218747) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID25218747
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H14N2O2S/c23-20(24)18-10-16-17(11-21-12-19(16)25-18)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,22H,(H,23,24)
InChIKeyPJMDRNYVBADPKZ-UHFFFAOYSA-N
XLogP5.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid (CID 25218747) is 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is PJMDRNYVBADPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-20(24)18-10-16-17(11-21-12-19(16)25-18)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,22H,(H,23,24).
What are the key properties of 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid?
4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 25218747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).