2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile

C16H11N5OS — CID 144756270

IUPAC2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESCOc1cc(N)c(-c2cc3cc(C#N)cnc3s2)c(C#N)c1N
InChIInChI=1S/C16H11N5OS/c1-22-12-4-11(19)14(10(6-18)15(12)20)13-3-9-2-8(5-17)7-21-16(9)23-13/h2-4,7H,19-20H2,1H3
InChIKeyHGRDBFRRJORDFF-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.88
Rot. Bonds2

About 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile

2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 144756270) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID144756270
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESCOc1cc(N)c(-c2cc3cc(C#N)cnc3s2)c(C#N)c1N
InChIInChI=1S/C16H11N5OS/c1-22-12-4-11(19)14(10(6-18)15(12)20)13-3-9-2-8(5-17)7-21-16(9)23-13/h2-4,7H,19-20H2,1H3
InChIKeyHGRDBFRRJORDFF-UHFFFAOYSA-N
XLogP2.88
TPSA121.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-5-methoxypyridine-3-carbonitrile
CID 89437143
ethanol;2-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 158277752
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469506
4-amino-3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile
CID 605092
7-methoxy-6-nitroquinoline-3-carbonitrile
CID 57156619
2-amino-4-methoxythiophene-3-carbonitrile
CID 22902760
7-amino-8-methylquinoline-3-carbonitrile
CID 101362406
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
3-bromo-5-methoxypyridine-4-carbonitrile
CID 119091286
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile (CID 144756270) is 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile is COc1cc(N)c(-c2cc3cc(C#N)cnc3s2)c(C#N)c1N.
What is the InChIKey of 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is HGRDBFRRJORDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c1-22-12-4-11(19)14(10(6-18)15(12)20)13-3-9-2-8(5-17)7-21-16(9)23-13/h2-4,7H,19-20H2,1H3.
What are the key properties of 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile?
2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 321.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-diamino-2-cyano-4-methoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 144756270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).