butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate

C16H15NO2S2 — CID 71251659

IUPACbutyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate
SMILESCCCCOC(=O)c1cc2cc(-c3cccs3)sc2cn1
InChIInChI=1S/C16H15NO2S2/c1-2-3-6-19-16(18)12-8-11-9-14(13-5-4-7-20-13)21-15(11)10-17-12/h4-5,7-10H,2-3,6H2,1H3
InChIKeyVQCPJHVIHMISBI-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.98
Rot. Bonds5

About butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate

butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate (PubChem CID 71251659) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebutyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate
PubChem CID71251659
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC Namebutyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate
SMILESCCCCOC(=O)c1cc2cc(-c3cccs3)sc2cn1
InChIInChI=1S/C16H15NO2S2/c1-2-3-6-19-16(18)12-8-11-9-14(13-5-4-7-20-13)21-15(11)10-17-12/h4-5,7-10H,2-3,6H2,1H3
InChIKeyVQCPJHVIHMISBI-UHFFFAOYSA-N
XLogP4.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl isoquinoline-3-carboxylate
CID 162715167
butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate
CID 67233627
dibutyl pyridine-2,5-dicarboxylate
CID 4266603
butyl 5-aminopyridine-2-carboxylate
CID 81315833
butyl 5-methylpyrido[4,3-b]indole-3-carboxylate
CID 102310229
2-O-butyl 6-O-dodecyl pyridine-2,6-dicarboxylate
CID 91735947
butyl quinoline-3-carboxylate
CID 54753708
heptyl thiophene-2-carboxylate
CID 574115
ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 66644585
butyl 3-(3-hydroxy-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)benzoate
CID 110582850
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91725154
butyl 3-(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)benzoate
CID 110583118

Frequently Asked Questions

What is the IUPAC name of butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate?
The IUPAC name of butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate (CID 71251659) is butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate.
What is the SMILES notation for butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate?
The canonical SMILES for butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate is CCCCOC(=O)c1cc2cc(-c3cccs3)sc2cn1.
What is the InChIKey of butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate?
The InChIKey is VQCPJHVIHMISBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-2-3-6-19-16(18)12-8-11-9-14(13-5-4-7-20-13)21-15(11)10-17-12/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate?
butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate has a molecular weight of 317.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 71251659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).