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

C16H11N5OS — CID 51348273

IUPAC3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
SMILESCOc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12
InChIInChI=1S/C16H11N5OS/c1-22-10-5-3-2-4-8(10)12-9(6-17)15(20)21-16-13(12)14(19)11(7-18)23-16/h2-5H,19H2,1H3,(H2,20,21)
InChIKeyIWXJIMREDYNBCA-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.88
Rot. Bonds2

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

3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile (PubChem CID 51348273) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
PubChem CID51348273
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
SMILESCOc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12
InChIInChI=1S/C16H11N5OS/c1-22-10-5-3-2-4-8(10)12-9(6-17)15(20)21-16-13(12)14(19)11(7-18)23-16/h2-5H,19H2,1H3,(H2,20,21)
InChIKeyIWXJIMREDYNBCA-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

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The IUPAC name of 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile (CID 51348273) is 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile.
What is the SMILES notation for 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The canonical SMILES for 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile is COc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12.
What is the InChIKey of 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The InChIKey is IWXJIMREDYNBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c1-22-10-5-3-2-4-8(10)12-9(6-17)15(20)21-16-13(12)14(19)11(7-18)23-16/h2-5H,19H2,1H3,(H2,20,21).
What are the key properties of 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile 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 3,6-diamino-4-(2-methoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile is sourced from PubChem (CID 51348273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).