[2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone

C32H23Cl2N2O2PS — CID 84583050

About [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone

[2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 84583050) has the molecular formula C32H23Cl2N2O2PS and a molecular weight of 601.50 g/mol. Its IUPAC name is [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
• PubChem CID: 84583050
• Molecular Formula: C32H23Cl2N2O2PS
• Molecular Weight: 601.50 g/mol
• Exact Mass: 600.06
• IUPAC Name: [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
• SMILES: O=C(c1ccccc1)c1sc(NP(=O)(C=C(Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C32H23Cl2N2O2PS/c33-27(23-13-5-1-6-14-23)21-39(38,22-28(34)24-15-7-2-8-16-24)36-32-35-29(25-17-9-3-10-18-25)31(40-32)30(37)26-19-11-4-12-20-26/h1-22H,(H,35,36,38)/b27-21+,28-22?
• InChIKey: LMZYOONLVGULQY-IFZUYCSFSA-N
• XLogP: 10.21
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.50
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?

The IUPAC name of [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone (CID 84583050) is [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone.

What is the SMILES notation for [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?

The canonical SMILES for [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1sc(NP(=O)(C=C(Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)nc1-c1ccccc1.

What is the InChIKey of [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?

The InChIKey is LMZYOONLVGULQY-IFZUYCSFSA-N. The full InChI is InChI=1S/C32H23Cl2N2O2PS/c33-27(23-13-5-1-6-14-23)21-39(38,22-28(34)24-15-7-2-8-16-24)36-32-35-29(25-17-9-3-10-18-25)31(40-32)30(37)26-19-11-4-12-20-26/h1-22H,(H,35,36,38)/b27-21+,28-22?.

What are the key properties of [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?

[2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 601.50 g/mol, XLogP of 10.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 84583050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).