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

C15H12N2O2S — CID 44561852

IUPAC4-(4-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCC1=CC=C(C=C1)NC2=C3C=CSC3=NC=C2C(=O)O
InChIInChI=1S/C15H12N2O2S/c1-9-2-4-10(5-3-9)17-13-11-6-7-20-14(11)16-8-12(13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyCPWMUUSDGOHRHV-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.20
Rot. Bonds3

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

4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 44561852) has the molecular formula C15H12N2O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-(4-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID44561852
Molecular FormulaC15H12N2O2S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name4-(4-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESCC1=CC=C(C=C1)NC2=C3C=CSC3=NC=C2C(=O)O
InChIInChI=1S/C15H12N2O2S/c1-9-2-4-10(5-3-9)17-13-11-6-7-20-14(11)16-8-12(13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyCPWMUUSDGOHRHV-UHFFFAOYSA-N
XLogP4.20
TPSA90.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity358

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 676133
Thieno[2,3-c]pyridine-2-carboxylic acid,4-([1,1'-biphenyl]-4-ylamino)-
CID 25218747
Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 738459
3-Amino-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 670446
Methyl 3-aminothieno(2,3-b)pyridine-2-carboxylate
CID 2820896
Methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 25261815
3-Oxo-2-phenyl-3,5-dihydro-2H-pyrazolo(3,4-d)thieno(2,3-b)pyridine-7-carboxylic acid
CID 374930
4-(6-Methyl-thieno[2,3-d]pyrimidin-4-ylamino)-benzoic acid
CID 6461111
Ethyl 3-amino-4-(phenylamino)thieno(2,3-b)pyridine-2-carboxylate
CID 900067
5-Cyano-2-(thieno[2,3-b]pyridine-2-carbonylamino)benzoic acid
CID 44439154
Thieno(2,3-b)pyridine-2-carboxylic acid
CID 7162095

Frequently Asked Questions

What is the IUPAC name of 4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid (CID 44561852) is 4-(4-methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid is CC1=CC=C(C=C1)NC2=C3C=CSC3=NC=C2C(=O)O.
What is the InChIKey of 4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is CPWMUUSDGOHRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-2-4-10(5-3-9)17-13-11-6-7-20-14(11)16-8-12(13)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 284.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44561852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).