methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate

C17H16N2O2S — CID 156621154

IUPACmethyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1NCCc1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-21-17(20)15-14(13-8-5-10-19-16(13)22-15)18-11-9-12-6-3-2-4-7-12/h2-8,10,18H,9,11H2,1H3
InChIKeyOQVYFYLZEFBMQY-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.74
Rot. Bonds5

About methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate

methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 156621154) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID156621154
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Namemethyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1NCCc1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-21-17(20)15-14(13-8-5-10-19-16(13)22-15)18-11-9-12-6-3-2-4-7-12/h2-8,10,18H,9,11H2,1H3
InChIKeyOQVYFYLZEFBMQY-UHFFFAOYSA-N
XLogP3.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 165075264
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
methyl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
CID 69220215
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
methyl 2-(2-phenylethyl)-1,3-thiazole-5-carboxylate
CID 80572742
methyl 3-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]thieno[2,3-b]pyridine-2-carboxylate
CID 25286477
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 80691393
N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577899

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate (CID 156621154) is methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2ncccc2c1NCCc1ccccc1.
What is the InChIKey of methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is OQVYFYLZEFBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-21-17(20)15-14(13-8-5-10-19-16(13)22-15)18-11-9-12-6-3-2-4-7-12/h2-8,10,18H,9,11H2,1H3.
What are the key properties of methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 156621154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).