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

C15H8ClN5S — CID 51348276

IUPAC3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
SMILESN#Cc1sc2nc(N)c(C#N)c(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C15H8ClN5S/c16-9-4-2-1-3-7(9)11-8(5-17)14(20)21-15-12(11)13(19)10(6-18)22-15/h1-4H,19H2,(H2,20,21)
InChIKeyZYCDWPCMXHYGRS-UHFFFAOYSA-N
MW325.78 g/mol
LogP3.52
Rot. Bonds1

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

3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile (PubChem CID 51348276) has the molecular formula C15H8ClN5S and a molecular weight of 325.78 g/mol. Its IUPAC name is 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
PubChem CID51348276
Molecular FormulaC15H8ClN5S
Molecular Weight325.78 g/mol
Exact Mass325.02
IUPAC Name3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
SMILESN#Cc1sc2nc(N)c(C#N)c(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C15H8ClN5S/c16-9-4-2-1-3-7(9)11-8(5-17)14(20)21-15-12(11)13(19)10(6-18)22-15/h1-4H,19H2,(H2,20,21)
InChIKeyZYCDWPCMXHYGRS-UHFFFAOYSA-N
XLogP3.52
TPSA112.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The IUPAC name of 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile (CID 51348276) is 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile.
What is the SMILES notation for 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The canonical SMILES for 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile is N#Cc1sc2nc(N)c(C#N)c(-c3ccccc3Cl)c2c1N.
What is the InChIKey of 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
The InChIKey is ZYCDWPCMXHYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN5S/c16-9-4-2-1-3-7(9)11-8(5-17)14(20)21-15-12(11)13(19)10(6-18)22-15/h1-4H,19H2,(H2,20,21).
What are the key properties of 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile?
3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile has a molecular weight of 325.78 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile is sourced from PubChem (CID 51348276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).