4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid

C15H12N2O2S — CID 44561821

IUPAC4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCc1cccc(Nc2c(C(=O)O)cnc3sccc23)c1
InChIInChI=1S/C15H12N2O2S/c1-9-3-2-4-10(7-9)17-13-11-5-6-20-14(11)16-8-12(13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyNJOQMGOFQMUKKH-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.05
Rot. Bonds3

About 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid

4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 44561821) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID44561821
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCc1cccc(Nc2c(C(=O)O)cnc3sccc23)c1
InChIInChI=1S/C15H12N2O2S/c1-9-3-2-4-10(7-9)17-13-11-5-6-20-14(11)16-8-12(13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyNJOQMGOFQMUKKH-UHFFFAOYSA-N
XLogP4.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid (CID 44561821) is 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid is Cc1cccc(Nc2c(C(=O)O)cnc3sccc23)c1.
What is the InChIKey of 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is NJOQMGOFQMUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-3-2-4-10(7-9)17-13-11-5-6-20-14(11)16-8-12(13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44561821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).