1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea

C14H20N4OS — CID 3479357

IUPAC1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESCCNC(=S)NN=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N4OS/c1-2-15-14(20)17-16-11-12-3-5-13(6-4-12)18-7-9-19-10-8-18/h3-6,11H,2,7-10H2,1H3,(H2,15,17,20)
InChIKeyVJJCADHVKJEKPH-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.34
Rot. Bonds4

About 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea

1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea (PubChem CID 3479357) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
PubChem CID3479357
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESCCNC(=S)NN=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N4OS/c1-2-15-14(20)17-16-11-12-3-5-13(6-4-12)18-7-9-19-10-8-18/h3-6,11H,2,7-10H2,1H3,(H2,15,17,20)
InChIKeyVJJCADHVKJEKPH-UHFFFAOYSA-N
XLogP1.34
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.34
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'}

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Related Compounds

1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 7930417
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
methyl 6-[[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]carbamothioylamino]hexanoate
CID 9043037
1-[(1R,2S)-2-methylcyclohexyl]-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 9122070
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-ethylthiourea
CID 7728669
1-ethyl-3-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]thiourea
CID 126377027
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586
1-[(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2364737
1-[(4-cyanophenyl)methylideneamino]-3-ethylthiourea
CID 2402386
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-ethylthiourea
CID 7728670
tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
CID 2692504

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea (CID 3479357) is 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea is CCNC(=S)NN=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The InChIKey is VJJCADHVKJEKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-15-14(20)17-16-11-12-3-5-13(6-4-12)18-7-9-19-10-8-18/h3-6,11H,2,7-10H2,1H3,(H2,15,17,20).
What are the key properties of 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea has a molecular weight of 292.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 3479357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).