2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile

C24H15Cl2N5OS2 — CID 122188745

About 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile

2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 122188745) has the molecular formula C24H15Cl2N5OS2 and a molecular weight of 524.46 g/mol. Its IUPAC name is 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
• PubChem CID: 122188745
• Molecular Formula: C24H15Cl2N5OS2
• Molecular Weight: 524.46 g/mol
• Exact Mass: 523.01
• IUPAC Name: 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
• SMILES: COc1ccc(-c2c(C#N)c(N)nc(SCc3nc(-c4ccc(Cl)cc4)sc3Cl)c2C#N)cc1
• InChI: InChI=1S/C24H15Cl2N5OS2/c1-32-16-8-4-13(5-9-16)20-17(10-27)22(29)31-24(18(20)11-28)33-12-19-21(26)34-23(30-19)14-2-6-15(25)7-3-14/h2-9H,12H2,1H3,(H2,29,31)
• InChIKey: TVLKGTSDPGNDQY-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 108.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.46
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?

The IUPAC name of 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile (CID 122188745) is 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.

What is the SMILES notation for 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?

The canonical SMILES for 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile is COc1ccc(-c2c(C#N)c(N)nc(SCc3nc(-c4ccc(Cl)cc4)sc3Cl)c2C#N)cc1.

What is the InChIKey of 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?

The InChIKey is TVLKGTSDPGNDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N5OS2/c1-32-16-8-4-13(5-9-16)20-17(10-27)22(29)31-24(18(20)11-28)33-12-19-21(26)34-23(30-19)14-2-6-15(25)7-3-14/h2-9H,12H2,1H3,(H2,29,31).

What are the key properties of 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?

2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 524.46 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 122188745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).