N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine

C25H17Cl4N2OPS — CID 84583044

About N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine

N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 84583044) has the molecular formula C25H17Cl4N2OPS and a molecular weight of 566.28 g/mol. Its IUPAC name is N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
• PubChem CID: 84583044
• Molecular Formula: C25H17Cl4N2OPS
• Molecular Weight: 566.28 g/mol
• Exact Mass: 563.96
• IUPAC Name: N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
• SMILES: O=P(C=C(Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
• InChI: InChI=1S/C25H17Cl4N2OPS/c26-20-12-11-19(13-21(20)27)24-16-34-25(30-24)31-33(32,14-22(28)17-7-3-1-4-8-17)15-23(29)18-9-5-2-6-10-18/h1-16H,(H,30,31,32)/b22-14+,23-15?
• InChIKey: PTUGDESJPADVJT-VLANLOCCSA-N
• XLogP: 10.28
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.28
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?

The IUPAC name of N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (CID 84583044) is N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine.

What is the SMILES notation for N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?

The canonical SMILES for N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine is O=P(C=C(Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.

What is the InChIKey of N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?

The InChIKey is PTUGDESJPADVJT-VLANLOCCSA-N. The full InChI is InChI=1S/C25H17Cl4N2OPS/c26-20-12-11-19(13-21(20)27)24-16-34-25(30-24)31-33(32,14-22(28)17-7-3-1-4-8-17)15-23(29)18-9-5-2-6-10-18/h1-16H,(H,30,31,32)/b22-14+,23-15?.

What are the key properties of N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?

N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 566.28 g/mol, XLogP of 10.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 84583044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).