[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C10H19N5OS — CID 107395028

IUPAC[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCOC1(C)CCCN(Cc2nnc(NN)s2)C1
InChIInChI=1S/C10H19N5OS/c1-10(16-2)4-3-5-15(7-10)6-8-13-14-9(12-11)17-8/h3-7,11H2,1-2H3,(H,12,14)
InChIKeyRHKFJRUQLGOKLO-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.82
Rot. Bonds4

About [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 107395028) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID107395028
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCOC1(C)CCCN(Cc2nnc(NN)s2)C1
InChIInChI=1S/C10H19N5OS/c1-10(16-2)4-3-5-15(7-10)6-8-13-14-9(12-11)17-8/h3-7,11H2,1-2H3,(H,12,14)
InChIKeyRHKFJRUQLGOKLO-UHFFFAOYSA-N
XLogP0.82
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 107395028) is [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is COC1(C)CCCN(Cc2nnc(NN)s2)C1.
What is the InChIKey of [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is RHKFJRUQLGOKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-10(16-2)4-3-5-15(7-10)6-8-13-14-9(12-11)17-8/h3-7,11H2,1-2H3,(H,12,14).
What are the key properties of [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 257.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 107395028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).