1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea

C23H28N6O2S — CID 6905503

IUPAC1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESS=C(N/N=C/c1ccc(N2CCOCC2)cc1)N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H28N6O2S/c32-23(26-24-17-19-1-5-21(6-2-19)28-9-13-30-14-10-28)27-25-18-20-3-7-22(8-4-20)29-11-15-31-16-12-29/h1-8,17-18H,9-16H2,(H2,26,27,32)/b24-17+,25-18+
InChIKeyJGHPSJVADTZQOZ-WZGDJCGDSA-N
MW452.58 g/mol
LogP2.19
Rot. Bonds6

About 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea

1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea (PubChem CID 6905503) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
PubChem CID6905503
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC Name1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESS=C(N/N=C/c1ccc(N2CCOCC2)cc1)N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H28N6O2S/c32-23(26-24-17-19-1-5-21(6-2-19)28-9-13-30-14-10-28)27-25-18-20-3-7-22(8-4-20)29-11-15-31-16-12-29/h1-8,17-18H,9-16H2,(H2,26,27,32)/b24-17+,25-18+
InChIKeyJGHPSJVADTZQOZ-WZGDJCGDSA-N
XLogP2.19
TPSA73.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]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

[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 3479357
1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 7930417
1-[(1R,2S)-2-methylcyclohexyl]-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 9122070
methyl 6-[[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]carbamothioylamino]hexanoate
CID 9043037
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
CID 2692504
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
1-cyclohexyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]urea
CID 2467512
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
6-amino-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 170647589
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The IUPAC name of 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea (CID 6905503) is 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea is S=C(N/N=C/c1ccc(N2CCOCC2)cc1)N/N=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The InChIKey is JGHPSJVADTZQOZ-WZGDJCGDSA-N. The full InChI is InChI=1S/C23H28N6O2S/c32-23(26-24-17-19-1-5-21(6-2-19)28-9-13-30-14-10-28)27-25-18-20-3-7-22(8-4-20)29-11-15-31-16-12-29/h1-8,17-18H,9-16H2,(H2,26,27,32)/b24-17+,25-18+.
What are the key properties of 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea has a molecular weight of 452.58 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 6905503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).