methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate

C14H16N2O3S — CID 58837094

IUPACmethyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESC=C(OC)c1c(C(=O)OC)sc2nccc(N(C)C)c12
InChIInChI=1S/C14H16N2O3S/c1-8(18-4)10-11-9(16(2)3)6-7-15-13(11)20-12(10)14(17)19-5/h6-7H,1H2,2-5H3
InChIKeyZNPBHLXTGVPOFO-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.77
Rot. Bonds4

About methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate

methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 58837094) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID58837094
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESC=C(OC)c1c(C(=O)OC)sc2nccc(N(C)C)c12
InChIInChI=1S/C14H16N2O3S/c1-8(18-4)10-11-9(16(2)3)6-7-15-13(11)20-12(10)14(17)19-5/h6-7H,1H2,2-5H3
InChIKeyZNPBHLXTGVPOFO-UHFFFAOYSA-N
XLogP2.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate (CID 58837094) is methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate is C=C(OC)c1c(C(=O)OC)sc2nccc(N(C)C)c12.
What is the InChIKey of methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is ZNPBHLXTGVPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8(18-4)10-11-9(16(2)3)6-7-15-13(11)20-12(10)14(17)19-5/h6-7H,1H2,2-5H3.
What are the key properties of methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate?
methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)-3-(1-methoxyethenyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 58837094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).