N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine

C32H25Cl2N2OPS — CID 2307309

About N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine

N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine (PubChem CID 2307309) has the molecular formula C32H25Cl2N2OPS and a molecular weight of 587.51 g/mol. Its IUPAC name is N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
• PubChem CID: 2307309
• Molecular Formula: C32H25Cl2N2OPS
• Molecular Weight: 587.51 g/mol
• Exact Mass: 586.08
• IUPAC Name: N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
• SMILES: Cc1ccc(-c2nc(NP(=O)(/C=C(\Cl)c3ccccc3)/C=C(/Cl)c3ccccc3)sc2-c2ccccc2)cc1
• InChI: InChI=1S/C32H25Cl2N2OPS/c1-23-17-19-26(20-18-23)30-31(27-15-9-4-10-16-27)39-32(35-30)36-38(37,21-28(33)24-11-5-2-6-12-24)22-29(34)25-13-7-3-8-14-25/h2-22H,1H3,(H,35,36,37)/b28-21-,29-22+
• InChIKey: RJMDAHFVWHWAFB-FJYRUYPUSA-N
• XLogP: 10.95
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.51
LogP ≤ 5	10.95
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-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?

The IUPAC name of N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine (CID 2307309) is N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine is Cc1ccc(-c2nc(NP(=O)(/C=C(\Cl)c3ccccc3)/C=C(/Cl)c3ccccc3)sc2-c2ccccc2)cc1.

What is the InChIKey of N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?

The InChIKey is RJMDAHFVWHWAFB-FJYRUYPUSA-N. The full InChI is InChI=1S/C32H25Cl2N2OPS/c1-23-17-19-26(20-18-23)30-31(27-15-9-4-10-16-27)39-32(35-30)36-38(37,21-28(33)24-11-5-2-6-12-24)22-29(34)25-13-7-3-8-14-25/h2-22H,1H3,(H,35,36,37)/b28-21-,29-22+.

What are the key properties of N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine?

N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 587.51 g/mol, XLogP of 10.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2307309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).