1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione

C23H30N6O2S — CID 72963066

IUPAC1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCN3CCN(C)C3=S)n2)c1
InChIInChI=1S/C23H30N6O2S/c1-18-4-3-5-19(14-18)17-24-26-21-15-20(28-8-11-30-12-9-28)16-22(25-21)31-13-10-29-7-6-27(2)23(29)32/h3-5,14-17H,6-13H2,1-2H3,(H,25,26)
InChIKeyBEHIQMUZYDDZCD-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.58
Rot. Bonds8

About 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione

1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione (PubChem CID 72963066) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione
PubChem CID72963066
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC Name1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCN3CCN(C)C3=S)n2)c1
InChIInChI=1S/C23H30N6O2S/c1-18-4-3-5-19(14-18)17-24-26-21-15-20(28-8-11-30-12-9-28)16-22(25-21)31-13-10-29-7-6-27(2)23(29)32/h3-5,14-17H,6-13H2,1-2H3,(H,25,26)
InChIKeyBEHIQMUZYDDZCD-UHFFFAOYSA-N
XLogP2.58
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.58
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione
CID 118162393
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
6-[2-(cyclohexylideneamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11224336
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-[3-(1-oxidopyridin-1-ium-2-yl)propoxy]pyridin-2-amine
CID 66683496
6-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11190459
2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 11431329
4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one
CID 59673873

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione?
The IUPAC name of 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione (CID 72963066) is 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione.
What is the SMILES notation for 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione?
The canonical SMILES for 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione is Cc1cccc(C=NNc2cc(N3CCOCC3)cc(OCCN3CCN(C)C3=S)n2)c1.
What is the InChIKey of 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione?
The InChIKey is BEHIQMUZYDDZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c1-18-4-3-5-19(14-18)17-24-26-21-15-20(28-8-11-30-12-9-28)16-22(25-21)31-13-10-29-7-6-27(2)23(29)32/h3-5,14-17H,6-13H2,1-2H3,(H,25,26).
What are the key properties of 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione?
1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione has a molecular weight of 454.60 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]imidazolidine-2-thione is sourced from PubChem (CID 72963066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).