ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate

C16H18N2O2S — CID 103610280

IUPACethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCc3sccc3C2C)nc1
InChIInChI=1S/C16H18N2O2S/c1-3-20-16(19)12-4-5-15(17-10-12)18-8-6-14-13(11(18)2)7-9-21-14/h4-5,7,9-11H,3,6,8H2,1-2H3
InChIKeyLKSFPZUSQUFLKA-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.44
Rot. Bonds3

About ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate

ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate (PubChem CID 103610280) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate
PubChem CID103610280
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Nameethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCc3sccc3C2C)nc1
InChIInChI=1S/C16H18N2O2S/c1-3-20-16(19)12-4-5-15(17-10-12)18-8-6-14-13(11(18)2)7-9-21-14/h4-5,7,9-11H,3,6,8H2,1-2H3
InChIKeyLKSFPZUSQUFLKA-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate (CID 103610280) is ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCc3sccc3C2C)nc1.
What is the InChIKey of ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate?
The InChIKey is LKSFPZUSQUFLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-20-16(19)12-4-5-15(17-10-12)18-8-6-14-13(11(18)2)7-9-21-14/h4-5,7,9-11H,3,6,8H2,1-2H3.
What are the key properties of ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate?
ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate has a molecular weight of 302.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate is sourced from PubChem (CID 103610280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).