1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea

C19H25N3S — CID 8678665

IUPAC1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea
SMILESCN(C)[C@@H](CNC(=S)NCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25N3S/c1-22(2)18(13-16-9-5-3-6-10-16)15-21-19(23)20-14-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyQPDDNOSWWMTZLI-GOSISDBHSA-N
MW327.50 g/mol
LogP2.82
Rot. Bonds7

About 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea

1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea (PubChem CID 8678665) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea
PubChem CID8678665
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea
SMILESCN(C)[C@@H](CNC(=S)NCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25N3S/c1-22(2)18(13-16-9-5-3-6-10-16)15-21-19(23)20-14-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H2,20,21,23)/t18-/m1/s1
InChIKeyQPDDNOSWWMTZLI-GOSISDBHSA-N
XLogP2.82
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea
CID 8678651
1-benzyl-3-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiourea
CID 8727651
1-[2-(dimethylamino)-3-phenylpropyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111243533
1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-(dimethylamino)-3-phenylpropyl]thiourea
CID 8656067
1-benzyl-3-(2-phenylpropyl)thiourea
CID 84823017
1-[2-(dimethylamino)-3-phenylpropyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78832463
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8656008
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55787133

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea?
The IUPAC name of 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea (CID 8678665) is 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea.
What is the SMILES notation for 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea?
The canonical SMILES for 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea is CN(C)[C@@H](CNC(=S)NCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea?
The InChIKey is QPDDNOSWWMTZLI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3S/c1-22(2)18(13-16-9-5-3-6-10-16)15-21-19(23)20-14-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H2,20,21,23)/t18-/m1/s1.
What are the key properties of 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea?
1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea has a molecular weight of 327.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea is sourced from PubChem (CID 8678665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).