1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea

C20H22N4O2S — CID 9411582

IUPAC1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
SMILESO=C1/C(=N\NC(=S)NCCCN2CCOCC2)c2cccc3cccc1c23
InChIInChI=1S/C20H22N4O2S/c25-19-16-7-2-5-14-4-1-6-15(17(14)16)18(19)22-23-20(27)21-8-3-9-24-10-12-26-13-11-24/h1-2,4-7H,3,8-13H2,(H2,21,23,27)/b22-18-
InChIKeyIIWAGCIQSCMSPR-PYCFMQQDSA-N
MW382.49 g/mol
LogP1.93
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea

1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea (PubChem CID 9411582) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
PubChem CID9411582
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
SMILESO=C1/C(=N\NC(=S)NCCCN2CCOCC2)c2cccc3cccc1c23
InChIInChI=1S/C20H22N4O2S/c25-19-16-7-2-5-14-4-1-6-15(17(14)16)18(19)22-23-20(27)21-8-3-9-24-10-12-26-13-11-24/h1-2,4-7H,3,8-13H2,(H2,21,23,27)/b22-18-
InChIKeyIIWAGCIQSCMSPR-PYCFMQQDSA-N
XLogP1.93
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]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-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568
1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8766893
1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 7934193
1-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9257800
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8617118
1-(3-morpholin-4-ylpropyl)-3-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]thiourea
CID 9257772
1-(3-morpholin-4-ylpropyl)-3-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 9411411
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128229
1-[(4-tert-butylcyclohexylidene)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411492

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea (CID 9411582) is 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea is O=C1/C(=N\NC(=S)NCCCN2CCOCC2)c2cccc3cccc1c23.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea?
The InChIKey is IIWAGCIQSCMSPR-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-19-16-7-2-5-14-4-1-6-15(17(14)16)18(19)22-23-20(27)21-8-3-9-24-10-12-26-13-11-24/h1-2,4-7H,3,8-13H2,(H2,21,23,27)/b22-18-.
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea?
1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea has a molecular weight of 382.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea is sourced from PubChem (CID 9411582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).