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

C20H26N4OS — CID 8679916

IUPAC1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C20H26N4OS/c26-20(21-10-5-11-24-12-14-25-15-13-24)23-19-9-4-8-18(16-19)22-17-6-2-1-3-7-17/h1-4,6-9,16,22H,5,10-15H2,(H2,21,23,26)
InChIKeyOOPWOFGVUBDYSI-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.44
Rot. Bonds7

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

1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 8679916) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID8679916
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESS=C(NCCCN1CCOCC1)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C20H26N4OS/c26-20(21-10-5-11-24-12-14-25-15-13-24)23-19-9-4-8-18(16-19)22-17-6-2-1-3-7-17/h1-4,6-9,16,22H,5,10-15H2,(H2,21,23,26)
InChIKeyOOPWOFGVUBDYSI-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'}

Analyze 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea 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-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 8615388
1-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8564807
1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8618840
1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8617118
1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2373595
1-(3-morpholin-4-ylpropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 8624491
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
CID 18286603
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
N,N-diethyl-4-(3-morpholin-4-ylpropylcarbamothioylamino)benzamide
CID 4968567
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8766893

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 8679916) is 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea is S=C(NCCCN1CCOCC1)Nc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is OOPWOFGVUBDYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c26-20(21-10-5-11-24-12-14-25-15-13-24)23-19-9-4-8-18(16-19)22-17-6-2-1-3-7-17/h1-4,6-9,16,22H,5,10-15H2,(H2,21,23,26).
What are the key properties of 1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(3-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-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 8679916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).