1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea

C24H28N5PS — CID 134475085

About 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea

1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea (PubChem CID 134475085) has the molecular formula C24H28N5PS and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea.

Molecular Properties

• Compound Name: 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea
• PubChem CID: 134475085
• Molecular Formula: C24H28N5PS
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.18
• IUPAC Name: 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea
• SMILES: C[C@H](CNC(=S)Nc1ccccc1)NP1N(c2ccccc2)CCN1c1ccccc1
• InChI: InChI=1S/C24H28N5PS/c1-20(19-25-24(31)26-21-11-5-2-6-12-21)27-30-28(22-13-7-3-8-14-22)17-18-29(30)23-15-9-4-10-16-23/h2-16,20,27H,17-19H2,1H3,(H2,25,26,31)/t20-/m1/s1
• InChIKey: JVPIUDVNKLAKIC-HXUWFJFHSA-N
• XLogP: 5.20
• TPSA: 42.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea?

The IUPAC name of 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea (CID 134475085) is 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea.

What is the SMILES notation for 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea?

The canonical SMILES for 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea is C[C@H](CNC(=S)Nc1ccccc1)NP1N(c2ccccc2)CCN1c1ccccc1.

What is the InChIKey of 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea?

The InChIKey is JVPIUDVNKLAKIC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N5PS/c1-20(19-25-24(31)26-21-11-5-2-6-12-21)27-30-28(22-13-7-3-8-14-22)17-18-29(30)23-15-9-4-10-16-23/h2-16,20,27H,17-19H2,1H3,(H2,25,26,31)/t20-/m1/s1.

What are the key properties of 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea?

1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea has a molecular weight of 449.56 g/mol, XLogP of 5.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea is sourced from PubChem (CID 134475085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).