3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile

C19H13N3OS2 — CID 1005240

IUPAC3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccs3)nc3sc(C#N)c(N)c23)cc1
InChIInChI=1S/C19H13N3OS2/c1-23-12-6-4-11(5-7-12)13-9-14(15-3-2-8-24-15)22-19-17(13)18(21)16(10-20)25-19/h2-9H,21H2,1H3
InChIKeyZTTSQECXVUXHNL-UHFFFAOYSA-N
MW363.47 g/mol
LogP5.15
Rot. Bonds3

About 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 1005240) has the molecular formula C19H13N3OS2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID1005240
Molecular FormulaC19H13N3OS2
Molecular Weight363.47 g/mol
Exact Mass363.05
IUPAC Name3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccs3)nc3sc(C#N)c(N)c23)cc1
InChIInChI=1S/C19H13N3OS2/c1-23-12-6-4-11(5-7-12)13-9-14(15-3-2-8-24-15)22-19-17(13)18(21)16(10-20)25-19/h2-9H,21H2,1H3
InChIKeyZTTSQECXVUXHNL-UHFFFAOYSA-N
XLogP5.15
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile (CID 1005240) is 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile is COc1ccc(-c2cc(-c3cccs3)nc3sc(C#N)c(N)c23)cc1.
What is the InChIKey of 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is ZTTSQECXVUXHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS2/c1-23-12-6-4-11(5-7-12)13-9-14(15-3-2-8-24-15)22-19-17(13)18(21)16(10-20)25-19/h2-9H,21H2,1H3.
What are the key properties of 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 363.47 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 1005240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).