methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate

C19H20N2O5S — CID 71601957

IUPACmethyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)ccc2c1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H20N2O5S/c1-10-6-7-12-15(17(19(22)26-5)27-18(12)20-10)21-11-8-13(23-2)16(25-4)14(9-11)24-3/h6-9,21H,1-5H3
InChIKeyRYOSTPSVVVEQJR-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.16
Rot. Bonds6

About methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate

methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 71601957) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID71601957
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Namemethyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C)ccc2c1Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H20N2O5S/c1-10-6-7-12-15(17(19(22)26-5)27-18(12)20-10)21-11-8-13(23-2)16(25-4)14(9-11)24-3/h6-9,21H,1-5H3
InChIKeyRYOSTPSVVVEQJR-UHFFFAOYSA-N
XLogP4.16
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate (CID 71601957) is methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(C)ccc2c1Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is RYOSTPSVVVEQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-10-6-7-12-15(17(19(22)26-5)27-18(12)20-10)21-11-8-13(23-2)16(25-4)14(9-11)24-3/h6-9,21H,1-5H3.
What are the key properties of methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate?
methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 388.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3-(3,4,5-trimethoxyanilino)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 71601957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).