methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate

C21H16N2O2S — CID 1116657

IUPACmethyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C21H16N2O2S/c1-25-21(24)19-18(22)17-15(13-8-4-2-5-9-13)12-16(23-20(17)26-19)14-10-6-3-7-11-14/h2-12H,22H2,1H3
InChIKeyWGNJNNSPWUYDJM-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.00
Rot. Bonds3

About methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1116657) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID1116657
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Namemethyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C21H16N2O2S/c1-25-21(24)19-18(22)17-15(13-8-4-2-5-9-13)12-16(23-20(17)26-19)14-10-6-3-7-11-14/h2-12H,22H2,1H3
InChIKeyWGNJNNSPWUYDJM-UHFFFAOYSA-N
XLogP5.00
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

But-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
CID 197690
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-amino-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxamide
CID 770990
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
3-amino-N-cyclohexyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 713424
3-Amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 3255800
3-Amino-4-(4-fluorophenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 1215283
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-Amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 704064
Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 738459
Propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
CID 888534

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate (CID 1116657) is methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is WGNJNNSPWUYDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-25-21(24)19-18(22)17-15(13-8-4-2-5-9-13)12-16(23-20(17)26-19)14-10-6-3-7-11-14/h2-12H,22H2,1H3.
What are the key properties of methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1116657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).