2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile

C18H10Cl2N4S2 — CID 46838965

IUPAC2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c1-c1ccsc1
InChIInChI=1S/C18H10Cl2N4S2/c19-14-2-1-10(5-15(14)20)8-26-18-13(7-22)16(11-3-4-25-9-11)12(6-21)17(23)24-18/h1-5,9H,8H2,(H2,23,24)
InChIKeyWVNIWPJQIRDAOS-UHFFFAOYSA-N
MW417.35 g/mol
LogP5.73
Rot. Bonds4

About 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile

2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile (PubChem CID 46838965) has the molecular formula C18H10Cl2N4S2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
PubChem CID46838965
Molecular FormulaC18H10Cl2N4S2
Molecular Weight417.35 g/mol
Exact Mass415.97
IUPAC Name2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c1-c1ccsc1
InChIInChI=1S/C18H10Cl2N4S2/c19-14-2-1-10(5-15(14)20)8-26-18-13(7-22)16(11-3-4-25-9-11)12(6-21)17(23)24-18/h1-5,9H,8H2,(H2,23,24)
InChIKeyWVNIWPJQIRDAOS-UHFFFAOYSA-N
XLogP5.73
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.35
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile (CID 46838965) is 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccc(Cl)c(Cl)c2)c(C#N)c1-c1ccsc1.
What is the InChIKey of 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
The InChIKey is WVNIWPJQIRDAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N4S2/c19-14-2-1-10(5-15(14)20)8-26-18-13(7-22)16(11-3-4-25-9-11)12(6-21)17(23)24-18/h1-5,9H,8H2,(H2,23,24).
What are the key properties of 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile?
2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile has a molecular weight of 417.35 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-3-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 46838965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).