methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate

C17H12N2O2S3 — CID 50908123

IUPACmethyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccc(-c4cccs4)s3)cnc2c1N
InChIInChI=1S/C17H12N2O2S3/c1-21-17(20)16-14(18)15-13(24-16)7-9(8-19-15)10-4-5-12(23-10)11-3-2-6-22-11/h2-8H,18H2,1H3
InChIKeyVAYZTCSEOHKXML-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.12
Rot. Bonds3

About methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50908123) has the molecular formula C17H12N2O2S3 and a molecular weight of 372.50 g/mol. Its IUPAC name is methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50908123
Molecular FormulaC17H12N2O2S3
Molecular Weight372.50 g/mol
Exact Mass372.01
IUPAC Namemethyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccc(-c4cccs4)s3)cnc2c1N
InChIInChI=1S/C17H12N2O2S3/c1-21-17(20)16-14(18)15-13(24-16)7-9(8-19-15)10-4-5-12(23-10)11-3-2-6-22-11/h2-8H,18H2,1H3
InChIKeyVAYZTCSEOHKXML-UHFFFAOYSA-N
XLogP5.12
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate (CID 50908123) is methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(-c3ccc(-c4cccs4)s3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is VAYZTCSEOHKXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S3/c1-21-17(20)16-14(18)15-13(24-16)7-9(8-19-15)10-4-5-12(23-10)11-3-2-6-22-11/h2-8H,18H2,1H3.
What are the key properties of methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 372.50 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50908123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).