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

C15H16N2O2S — CID 142686734

IUPAC2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESO=C(OCCc1ccccn1)N1CCc2ccsc2C1
InChIInChI=1S/C15H16N2O2S/c18-15(19-9-5-13-3-1-2-7-16-13)17-8-4-12-6-10-20-14(12)11-17/h1-3,6-7,10H,4-5,8-9,11H2
InChIKeyTYVNUVQZNGACDL-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.88
Rot. Bonds3

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

2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 142686734) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID142686734
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESO=C(OCCc1ccccn1)N1CCc2ccsc2C1
InChIInChI=1S/C15H16N2O2S/c18-15(19-9-5-13-3-1-2-7-16-13)17-8-4-12-6-10-20-14(12)11-17/h1-3,6-7,10H,4-5,8-9,11H2
InChIKeyTYVNUVQZNGACDL-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 142686734) is 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is O=C(OCCc1ccccn1)N1CCc2ccsc2C1.
What is the InChIKey of 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is TYVNUVQZNGACDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(19-9-5-13-3-1-2-7-16-13)17-8-4-12-6-10-20-14(12)11-17/h1-3,6-7,10H,4-5,8-9,11H2.
What are the key properties of 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 288.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 142686734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).