7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid

C15H12N2O2S — CID 152718891

IUPAC7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2ccsc2c1NCc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-15(19)11-9-16-12-6-7-20-14(12)13(11)17-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChIKeyZVERSPSGDVUJND-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.61
Rot. Bonds4

About 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid

7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 152718891) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID152718891
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2ccsc2c1NCc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-15(19)11-9-16-12-6-7-20-14(12)13(11)17-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChIKeyZVERSPSGDVUJND-UHFFFAOYSA-N
XLogP3.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(benzylamino)-5-benzylsulfanylthieno[3,2-b]pyridine-6-carboxylic acid
CID 15951100
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
tert-butyl N-[[4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]phenyl]methyl]carbamate
CID 164524704
2-[4-[[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]benzoic acid
CID 19787151
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
CID 20562052
N-[(4-methoxyphenyl)methyl]-6-nitrothieno[3,2-b]pyridin-7-amine
CID 138112469
6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 20982491
1-[2-(benzylamino)thiophen-3-yl]ethanone
CID 130875464
benzyl 4-[[(6-aminothieno[3,2-b]pyridin-7-yl)amino]methyl]-2-benzylpiperidine-1-carboxylate
CID 169084659
7-N-ethylthieno[3,2-b]pyridine-6,7-diamine
CID 146253423
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976

Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid (CID 152718891) is 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2ccsc2c1NCc1ccccc1.
What is the InChIKey of 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is ZVERSPSGDVUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-15(19)11-9-16-12-6-7-20-14(12)13(11)17-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)(H,18,19).
What are the key properties of 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid?
7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 152718891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).