thieno[2,3-b]pyridine-2-carboxylate

C8H4NO2S- — CID 7162094

IUPACthieno[2,3-b]pyridine-2-carboxylate
SMILESO=C([O-])c1cc2cccnc2s1
InChIInChI=1S/C8H5NO2S/c10-8(11)6-4-5-2-1-3-9-7(5)12-6/h1-4H,(H,10,11)/p-1
InChIKeyXGCSHAYMNOFFNA-UHFFFAOYSA-M
MW178.19 g/mol
LogP0.66
Rot. Bonds1

About thieno[2,3-b]pyridine-2-carboxylate

thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 7162094) has the molecular formula C8H4NO2S- and a molecular weight of 178.19 g/mol. Its IUPAC name is thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namethieno[2,3-b]pyridine-2-carboxylate
PubChem CID7162094
Molecular FormulaC8H4NO2S-
Molecular Weight178.19 g/mol
Exact Mass178.00
IUPAC Namethieno[2,3-b]pyridine-2-carboxylate
SMILESO=C([O-])c1cc2cccnc2s1
InChIInChI=1S/C8H5NO2S/c10-8(11)6-4-5-2-1-3-9-7(5)12-6/h1-4H,(H,10,11)/p-1
InChIKeyXGCSHAYMNOFFNA-UHFFFAOYSA-M
XLogP0.66
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze thieno[2,3-b]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydron;thieno[2,3-b]pyridine-2-carboxamide
CID 174476240
thieno[2,3-b]pyridin-2-ol
CID 89200152
thieno[2,3-b]pyridin-2-ylcarbamic acid
CID 142702940
N-[(3-amino-1-methylcyclobutyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 166298778
2-[(3S)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1-thieno[2,3-b]pyridin-2-ylethanone
CID 161078678
thieno[2,3-b]pyridin-2-yl benzoate
CID 167343123
3-benzoylthiopyrano[2,3-b]pyridin-2-one
CID 12867722
N-(5,6-difluoro-1H-indol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 169016662
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 66814630
N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 136567685
N-methylthieno[2,3-b]pyridin-2-amine
CID 119083689
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-thieno[2,3-b]pyridin-2-ylethanone
CID 159118012

Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of thieno[2,3-b]pyridine-2-carboxylate (CID 7162094) is thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for thieno[2,3-b]pyridine-2-carboxylate is O=C([O-])c1cc2cccnc2s1.
What is the InChIKey of thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is XGCSHAYMNOFFNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5NO2S/c10-8(11)6-4-5-2-1-3-9-7(5)12-6/h1-4H,(H,10,11)/p-1.
What are the key properties of thieno[2,3-b]pyridine-2-carboxylate?
thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 7162094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).