N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C20H20Cl2N4OS — CID 58214396

About N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214396) has the molecular formula C20H20Cl2N4OS and a molecular weight of 435.38 g/mol. Its IUPAC name is N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

• Compound Name: N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
• PubChem CID: 58214396
• Molecular Formula: C20H20Cl2N4OS
• Molecular Weight: 435.38 g/mol
• Exact Mass: 434.07
• IUPAC Name: N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
• SMILES: CCN(C)/C=N/c1cc(Cl)c(Oc2nc(Cc3ccc(Cl)cc3)ns2)cc1C
• InChI: InChI=1S/C20H20Cl2N4OS/c1-4-26(3)12-23-17-11-16(22)18(9-13(17)2)27-20-24-19(25-28-20)10-14-5-7-15(21)8-6-14/h5-9,11-12H,4,10H2,1-3H3/b23-12+
• InChIKey: HWHKANWHVGKGPE-FSJBWODESA-N
• XLogP: 6.15
• TPSA: 50.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.38
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?

The IUPAC name of N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 58214396) is N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

What is the SMILES notation for N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?

The canonical SMILES for N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Cl)c(Oc2nc(Cc3ccc(Cl)cc3)ns2)cc1C.

What is the InChIKey of N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?

The InChIKey is HWHKANWHVGKGPE-FSJBWODESA-N. The full InChI is InChI=1S/C20H20Cl2N4OS/c1-4-26(3)12-23-17-11-16(22)18(9-13(17)2)27-20-24-19(25-28-20)10-14-5-7-15(21)8-6-14/h5-9,11-12H,4,10H2,1-3H3/b23-12+.

What are the key properties of N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?

N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 435.38 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-chloro-4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).