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

C25H29N4PS — CID 134471130

IUPAC1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea
SMILESC[C@H](CNC(=S)Nc1ccccc1)CP1N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C25H29N4PS/c1-21(19-26-25(31)27-22-11-5-2-6-12-22)20-30-28(23-13-7-3-8-14-23)17-18-29(30)24-15-9-4-10-16-24/h2-16,21H,17-20H2,1H3,(H2,26,27,31)/t21-/m1/s1
InChIKeyVRIULIZCPVYRMQ-OAQYLSRUSA-N
MW448.58 g/mol
LogP5.95
Rot. Bonds7

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

1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea (PubChem CID 134471130) has the molecular formula C25H29N4PS and a molecular weight of 448.58 g/mol. Its IUPAC name is 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea
PubChem CID134471130
Molecular FormulaC25H29N4PS
Molecular Weight448.58 g/mol
Exact Mass448.19
IUPAC Name1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea
SMILESC[C@H](CNC(=S)Nc1ccccc1)CP1N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C25H29N4PS/c1-21(19-26-25(31)27-22-11-5-2-6-12-22)20-30-28(23-13-7-3-8-14-23)17-18-29(30)24-15-9-4-10-16-24/h2-16,21H,17-20H2,1H3,(H2,26,27,31)/t21-/m1/s1
InChIKeyVRIULIZCPVYRMQ-OAQYLSRUSA-N
XLogP5.95
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.58
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)amino]propyl]-3-phenylthiourea
CID 134475085
1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-3-(4-methylphenyl)thiourea
CID 134471129
1-phenyl-3-(2-phenylpropyl)thiourea
CID 115570733
1-(2-methoxypropyl)-3-phenylthiourea
CID 102697388
1-[3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)propyl]-1-methyl-3-phenylthiourea
CID 134471141
1-(2,2-dimethoxyethyl)-3-phenylthiourea
CID 1474302
1-(3,5-dichlorophenyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]thiourea
CID 55685131
2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea
CID 162248290
1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
1-phenyl-3-[[2,4,6-triethyl-3,5-bis[(phenylcarbamothioylamino)methyl]phenyl]methyl]thiourea
CID 122215413
1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-1-methyl-3-phenylthiourea
CID 118949793
1-[2-[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]ethyl]-3-phenylthiourea
CID 130445073

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea?
The IUPAC name of 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea (CID 134471130) is 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea.
What is the SMILES notation for 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea?
The canonical SMILES for 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea is C[C@H](CNC(=S)Nc1ccccc1)CP1N(c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea?
The InChIKey is VRIULIZCPVYRMQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N4PS/c1-21(19-26-25(31)27-22-11-5-2-6-12-22)20-30-28(23-13-7-3-8-14-23)17-18-29(30)24-15-9-4-10-16-24/h2-16,21H,17-20H2,1H3,(H2,26,27,31)/t21-/m1/s1.
What are the key properties of 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea?
1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea has a molecular weight of 448.58 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)-2-methylpropyl]-3-phenylthiourea is sourced from PubChem (CID 134471130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).