1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

C21H32N4OS — CID 22830947

IUPAC1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESC/C(=N\NC(=S)NCCN1CCOCC1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H32N4OS/c1-17(18-7-9-20(10-8-18)19-5-3-2-4-6-19)23-24-21(27)22-11-12-25-13-15-26-16-14-25/h7-10,19H,2-6,11-16H2,1H3,(H2,22,24,27)/b23-17+
InChIKeyZANGPYQQPDQSQP-HAVVHWLPSA-N
MW388.58 g/mol
LogP3.25
Rot. Bonds6

About 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 22830947) has the molecular formula C21H32N4OS and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID22830947
Molecular FormulaC21H32N4OS
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Name1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESC/C(=N\NC(=S)NCCN1CCOCC1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H32N4OS/c1-17(18-7-9-20(10-8-18)19-5-3-2-4-6-19)23-24-21(27)22-11-12-25-13-15-26-16-14-25/h7-10,19H,2-6,11-16H2,1H3,(H2,22,24,27)/b23-17+
InChIKeyZANGPYQQPDQSQP-HAVVHWLPSA-N
XLogP3.25
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 7934135
1-(3-morpholin-4-ylpropyl)-3-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]thiourea
CID 9257772
1-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9257800
1-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6382816
1-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411591
1-(3-morpholin-4-ylpropyl)-3-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]thiourea
CID 29169323
1-(2-methoxyethyl)-3-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]thiourea
CID 7934521
1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
1-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9147403
N-[4-hydroxy-3-[(E)-C-methyl-N-(2-morpholin-4-ylethylcarbamothioylamino)carbonimidoyl]phenyl]butanamide
CID 135689849
1-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8826452
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (CID 22830947) is 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is C/C(=N\NC(=S)NCCN1CCOCC1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is ZANGPYQQPDQSQP-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H32N4OS/c1-17(18-7-9-20(10-8-18)19-5-3-2-4-6-19)23-24-21(27)22-11-12-25-13-15-26-16-14-25/h7-10,19H,2-6,11-16H2,1H3,(H2,22,24,27)/b23-17+.
What are the key properties of 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 388.58 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 22830947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).