[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine

C14H23N3OS — CID 105297202

IUPAC[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine
SMILESCOc1c(C)cnc(CC(NN)C2CCSC2)c1C
InChIInChI=1S/C14H23N3OS/c1-9-7-16-12(10(2)14(9)18-3)6-13(17-15)11-4-5-19-8-11/h7,11,13,17H,4-6,8,15H2,1-3H3
InChIKeyCCOJFGAHPHURFO-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.83
Rot. Bonds5

About [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine

[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine (PubChem CID 105297202) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine
PubChem CID105297202
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine
SMILESCOc1c(C)cnc(CC(NN)C2CCSC2)c1C
InChIInChI=1S/C14H23N3OS/c1-9-7-16-12(10(2)14(9)18-3)6-13(17-15)11-4-5-19-8-11/h7,11,13,17H,4-6,8,15H2,1-3H3
InChIKeyCCOJFGAHPHURFO-UHFFFAOYSA-N
XLogP1.83
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229756
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446308
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
[1-(2,2-dimethylcyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 107193645
1-cyclopentyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601412
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622026
3-cyclopropyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 115844027
1-cyclohexyl-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62601994
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol
CID 65401765
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105297174
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279925

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine (CID 105297202) is [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine is COc1c(C)cnc(CC(NN)C2CCSC2)c1C.
What is the InChIKey of [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine?
The InChIKey is CCOJFGAHPHURFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9-7-16-12(10(2)14(9)18-3)6-13(17-15)11-4-5-19-8-11/h7,11,13,17H,4-6,8,15H2,1-3H3.
What are the key properties of [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine?
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine has a molecular weight of 281.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(thiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105297202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).