2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C11H15NO4S — CID 142686755

IUPAC2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESO=C(OCC(O)CO)N1CCc2ccsc2C1
InChIInChI=1S/C11H15NO4S/c13-6-9(14)7-16-11(15)12-3-1-8-2-4-17-10(8)5-12/h2,4,9,13-14H,1,3,5-7H2
InChIKeyJHDGYZPSJWDZQV-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.60
Rot. Bonds3

About 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 142686755) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID142686755
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESO=C(OCC(O)CO)N1CCc2ccsc2C1
InChIInChI=1S/C11H15NO4S/c13-6-9(14)7-16-11(15)12-3-1-8-2-4-17-10(8)5-12/h2,4,9,13-14H,1,3,5-7H2
InChIKeyJHDGYZPSJWDZQV-UHFFFAOYSA-N
XLogP0.60
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-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

[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 142428400
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686727
3-piperidin-1-ylpropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686707
2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686734
(3-methoxyphenyl)methyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686728
2,3-dihydroxypropyl 2-benzamido-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 143151767
6-prop-1-en-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 70216021
tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
CID 141432076
2,3-dihydroxypropyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 59345904
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62015561
2-(2-aminobutylsulfanyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 66229432

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 142686755) is 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is O=C(OCC(O)CO)N1CCc2ccsc2C1.
What is the InChIKey of 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is JHDGYZPSJWDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c13-6-9(14)7-16-11(15)12-3-1-8-2-4-17-10(8)5-12/h2,4,9,13-14H,1,3,5-7H2.
What are the key properties of 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 142686755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).