methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline

C23H28N4O2S — CID 144783805

IUPACmethanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1ccc(-c2ccc(OC)cc2)c(C)n1.NNC=S
InChIInChI=1S/C22H24N2O2.CH4N2S/c1-15-6-5-7-21(23-3)20(15)14-26-22-13-12-19(16(2)24-22)17-8-10-18(25-4)11-9-17;2-3-1-4/h5-13,23H,14H2,1-4H3;1H,2H2,(H,3,4)
InChIKeyRUXYVKVRDZTHER-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.40
Rot. Bonds7

About methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline

methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline (PubChem CID 144783805) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline.

Molecular Properties

Compound Namemethanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline
PubChem CID144783805
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Namemethanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1ccc(-c2ccc(OC)cc2)c(C)n1.NNC=S
InChIInChI=1S/C22H24N2O2.CH4N2S/c1-15-6-5-7-21(23-3)20(15)14-26-22-13-12-19(16(2)24-22)17-8-10-18(25-4)11-9-17;2-3-1-4/h5-13,23H,14H2,1-4H3;1H,2H2,(H,3,4)
InChIKeyRUXYVKVRDZTHER-UHFFFAOYSA-N
XLogP4.40
TPSA81.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784393
2-[(6-ethyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784105
[[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium
CID 147594852
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline
CID 144738945
2-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxymethyl]-N,3-dimethylaniline
CID 144738989
1-[2-[[5-(5-bromo-2-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144784276
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121387065
6-[(4-methoxyphenyl)methoxy]-N-methylpyridin-2-amine
CID 80865107
1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol
CID 134547916

Frequently Asked Questions

What is the IUPAC name of methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline?
The IUPAC name of methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline (CID 144783805) is methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline.
What is the SMILES notation for methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline?
The canonical SMILES for methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline is CNc1cccc(C)c1COc1ccc(-c2ccc(OC)cc2)c(C)n1.NNC=S.
What is the InChIKey of methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline?
The InChIKey is RUXYVKVRDZTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2.CH4N2S/c1-15-6-5-7-21(23-3)20(15)14-26-22-13-12-19(16(2)24-22)17-8-10-18(25-4)11-9-17;2-3-1-4/h5-13,23H,14H2,1-4H3;1H,2H2,(H,3,4).
What are the key properties of methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline?
methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline has a molecular weight of 424.57 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiohydrazide;2-[[5-(4-methoxyphenyl)-6-methyl-2-pyridinyl]oxymethyl]-N,3-dimethylaniline is sourced from PubChem (CID 144783805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).