1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea

C18H26N4O2S — CID 8654277

IUPAC1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C18H26N4O2S/c1-2-5-19-18(25)20-16-4-3-15(21-6-10-23-11-7-21)14-17(16)22-8-12-24-13-9-22/h2-4,14H,1,5-13H2,(H2,19,20,25)
InChIKeyJXXZHHBQEBYYEZ-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.83
Rot. Bonds5

About 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea

1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea (PubChem CID 8654277) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea
PubChem CID8654277
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C18H26N4O2S/c1-2-5-19-18(25)20-16-4-3-15(21-6-10-23-11-7-21)14-17(16)22-8-12-24-13-9-22/h2-4,14H,1,5-13H2,(H2,19,20,25)
InChIKeyJXXZHHBQEBYYEZ-UHFFFAOYSA-N
XLogP1.83
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea 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-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-prop-2-enylthiourea
CID 17266654
1-cyclohexyl-3-(2,4-dimorpholin-4-ylphenyl)thiourea
CID 8654290
1-(2,4-dimorpholin-4-ylphenyl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8654348
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958
1-(4-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-3-prop-2-enylthiourea
CID 100780232
1-(4-bromo-2-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 100625305
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109144996
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 94494667

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea?
The IUPAC name of 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea (CID 8654277) is 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea is C=CCNC(=S)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea?
The InChIKey is JXXZHHBQEBYYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-2-5-19-18(25)20-16-4-3-15(21-6-10-23-11-7-21)14-17(16)22-8-12-24-13-9-22/h2-4,14H,1,5-13H2,(H2,19,20,25).
What are the key properties of 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea?
1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea has a molecular weight of 362.50 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea is sourced from PubChem (CID 8654277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).