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

C17H13N5OS — CID 51348277

IUPAC3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
SMILESCCOc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12
InChIInChI=1S/C17H13N5OS/c1-2-23-11-6-4-3-5-9(11)13-10(7-18)16(21)22-17-14(13)15(20)12(8-19)24-17/h3-6H,2,20H2,1H3,(H2,21,22)
InChIKeyYVIGASICJXGSNX-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.27
Rot. Bonds3

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

3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile (PubChem CID 51348277) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
PubChem CID51348277
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
SMILESCCOc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12
InChIInChI=1S/C17H13N5OS/c1-2-23-11-6-4-3-5-9(11)13-10(7-18)16(21)22-17-14(13)15(20)12(8-19)24-17/h3-6H,2,20H2,1H3,(H2,21,22)
InChIKeyYVIGASICJXGSNX-UHFFFAOYSA-N
XLogP3.27
TPSA121.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.27
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-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The IUPAC name of 3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile (CID 51348277) is 3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile.
What is the SMILES notation for 3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The canonical SMILES for 3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile is CCOc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12.
What is the InChIKey of 3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The InChIKey is YVIGASICJXGSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-2-23-11-6-4-3-5-9(11)13-10(7-18)16(21)22-17-14(13)15(20)12(8-19)24-17/h3-6H,2,20H2,1H3,(H2,21,22).
What are the key properties of 3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
3,6-diamino-4-(2-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile has a molecular weight of 335.39 g/mol, XLogP of 3.27, 3 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-ethoxyphenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile is sourced from PubChem (CID 51348277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).