N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine

C18H24N4O2S — CID 87905257

IUPACN-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
SMILESCON=Cc1ccc(OCCC2CCN(c3nnc(C)s3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-14-20-21-18(25-14)22-10-7-15(8-11-22)9-12-24-17-5-3-16(4-6-17)13-19-23-2/h3-6,13,15H,7-12H2,1-2H3
InChIKeyZWEVHWNUYMMQSE-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.51
Rot. Bonds7

About N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine

N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine (PubChem CID 87905257) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
PubChem CID87905257
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
SMILESCON=Cc1ccc(OCCC2CCN(c3nnc(C)s3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-14-20-21-18(25-14)22-10-7-15(8-11-22)9-12-24-17-5-3-16(4-6-17)13-19-23-2/h3-6,13,15H,7-12H2,1-2H3
InChIKeyZWEVHWNUYMMQSE-UHFFFAOYSA-N
XLogP3.51
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
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'}

Analyze N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine?
The IUPAC name of N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine (CID 87905257) is N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine.
What is the SMILES notation for N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine?
The canonical SMILES for N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine is CON=Cc1ccc(OCCC2CCN(c3nnc(C)s3)CC2)cc1.
What is the InChIKey of N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine?
The InChIKey is ZWEVHWNUYMMQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-20-21-18(25-14)22-10-7-15(8-11-22)9-12-24-17-5-3-16(4-6-17)13-19-23-2/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine?
N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine has a molecular weight of 360.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine is sourced from PubChem (CID 87905257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).