1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea

C20H24ClN3OS — CID 3885285

IUPAC1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
SMILESCC(NC(=S)Nc1ccc(Cl)cc1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H24ClN3OS/c1-15(22-20(26)23-18-9-7-17(21)8-10-18)19(16-5-3-2-4-6-16)24-11-13-25-14-12-24/h2-10,15,19H,11-14H2,1H3,(H2,22,23,26)
InChIKeyCLGNJYBKBDTBQV-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea

1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea (PubChem CID 3885285) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
PubChem CID3885285
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
SMILESCC(NC(=S)Nc1ccc(Cl)cc1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H24ClN3OS/c1-15(22-20(26)23-18-9-7-17(21)8-10-18)19(16-5-3-2-4-6-16)24-11-13-25-14-12-24/h2-10,15,19H,11-14H2,1H3,(H2,22,23,26)
InChIKeyCLGNJYBKBDTBQV-UHFFFAOYSA-N
XLogP4.09
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656530
1-(3-methylphenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656574
1-(2,5-dimethylphenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656601
1-(4-bromophenyl)-3-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]thiourea
CID 5002179
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038
1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea
CID 40648030
1-(4-bromophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]thiourea
CID 30889189
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8552654
4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
CID 2328593
1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934899
1-(4-cyanophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934898

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea (CID 3885285) is 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea is CC(NC(=S)Nc1ccc(Cl)cc1)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea?
The InChIKey is CLGNJYBKBDTBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c1-15(22-20(26)23-18-9-7-17(21)8-10-18)19(16-5-3-2-4-6-16)24-11-13-25-14-12-24/h2-10,15,19H,11-14H2,1H3,(H2,22,23,26).
What are the key properties of 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea?
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea has a molecular weight of 389.95 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea is sourced from PubChem (CID 3885285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).