[(4-morpholin-4-ylphenyl)methylideneamino]thiourea

C12H16N4OS — CID 957717

IUPAC[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H16N4OS/c13-12(18)15-14-9-10-1-3-11(4-2-10)16-5-7-17-8-6-16/h1-4,9H,5-8H2,(H3,13,15,18)
InChIKeyQNXVGQNACGSIOY-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.69
Rot. Bonds3

About [(4-morpholin-4-ylphenyl)methylideneamino]thiourea

[(4-morpholin-4-ylphenyl)methylideneamino]thiourea (PubChem CID 957717) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [(4-morpholin-4-ylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
PubChem CID957717
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H16N4OS/c13-12(18)15-14-9-10-1-3-11(4-2-10)16-5-7-17-8-6-16/h1-4,9H,5-8H2,(H3,13,15,18)
InChIKeyQNXVGQNACGSIOY-UHFFFAOYSA-N
XLogP0.69
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.69
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-ethyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 3479357
1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 7930417
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
1-[(1R,2S)-2-methylcyclohexyl]-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 9122070
tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
CID 2692504
[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]thiourea
CID 168534871
6-amino-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 170647589
1-cyclohexyl-3-[(4-morpholin-4-ylphenyl)methylideneamino]urea
CID 2467512
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
[(E)-(4-formylphenyl)methylideneamino]thiourea
CID 139086855

Frequently Asked Questions

What is the IUPAC name of [(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The IUPAC name of [(4-morpholin-4-ylphenyl)methylideneamino]thiourea (CID 957717) is [(4-morpholin-4-ylphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The canonical SMILES for [(4-morpholin-4-ylphenyl)methylideneamino]thiourea is NC(=S)NN=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
The InChIKey is QNXVGQNACGSIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c13-12(18)15-14-9-10-1-3-11(4-2-10)16-5-7-17-8-6-16/h1-4,9H,5-8H2,(H3,13,15,18).
What are the key properties of [(4-morpholin-4-ylphenyl)methylideneamino]thiourea?
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea has a molecular weight of 264.35 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-morpholin-4-ylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 957717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).