1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea

C20H26N4OS — CID 2196890

IUPAC1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H26N4OS/c26-20(21-11-4-12-24-13-15-25-16-14-24)23-19-9-7-18(8-10-19)22-17-5-2-1-3-6-17/h1-3,5-10,22H,4,11-16H2,(H2,21,23,26)
InChIKeyPWJIARCICKAGLC-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.44
Rot. Bonds7

About 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea

1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 2196890) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID2196890
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H26N4OS/c26-20(21-11-4-12-24-13-15-25-16-14-24)23-19-9-7-18(8-10-19)22-17-5-2-1-3-6-17/h1-3,5-10,22H,4,11-16H2,(H2,21,23,26)
InChIKeyPWJIARCICKAGLC-UHFFFAOYSA-N
XLogP3.44
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
N-phenylmorpholine-4-carbothioamide
CID 668271
Thiourea, N-(2-(ethenyloxy)ethyl)-N'-phenyl-
CID 3067952
1-[2-(Morpholin-4-yl)phenyl]-3-(2-phenylethyl)thiourea
CID 972608
N-(2-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2930103
N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894
3-(2-Methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
CID 5176938
1-(3-Methylphenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2257807
N-(4-anilinophenyl)-4-morpholinecarboxamide
CID 752006
1-(2-Methyl-2-morpholin-4-ylpropyl)-3-phenylthiourea
CID 4417939
N-(4-nitrophenyl)morpholine-4-carbothioamide
CID 2903043
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 2196890) is 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea is S=C(NCCCN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is PWJIARCICKAGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c26-20(21-11-4-12-24-13-15-25-16-14-24)23-19-9-7-18(8-10-19)22-17-5-2-1-3-6-17/h1-3,5-10,22H,4,11-16H2,(H2,21,23,26).
What are the key properties of 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 370.52 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 2196890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).