(E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine

C16H11Cl2N3OS — CID 177385490

IUPAC(E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1nnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H11Cl2N3OS/c1-22-14-5-3-2-4-10(14)9-19-16-21-20-15(23-16)12-7-6-11(17)8-13(12)18/h2-9H,1H3/b19-9+
InChIKeyXBVROPCEXJOQTC-DJKKODMXSA-N
MW364.26 g/mol
LogP5.27
Rot. Bonds4

About (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine

(E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine (PubChem CID 177385490) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine
PubChem CID177385490
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name(E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1nnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H11Cl2N3OS/c1-22-14-5-3-2-4-10(14)9-19-16-21-20-15(23-16)12-7-6-11(17)8-13(12)18/h2-9H,1H3/b19-9+
InChIKeyXBVROPCEXJOQTC-DJKKODMXSA-N
XLogP5.27
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 1078967
2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol
CID 135439530
(E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine
CID 46501722
4-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138865
2-methoxy-6-[(E)-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]phenol
CID 135830157
4-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 2857163
2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 137279187
3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2021657
1-(4-chlorophenyl)-5-[(E)-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 135467606
2-bromo-4-[(E)-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-6-methoxyphenol
CID 135503909
1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483125
(4Z)-2-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6520823

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine (CID 177385490) is (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine is COc1ccccc1/C=N/c1nnc(-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine?
The InChIKey is XBVROPCEXJOQTC-DJKKODMXSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c1-22-14-5-3-2-4-10(14)9-19-16-21-20-15(23-16)12-7-6-11(17)8-13(12)18/h2-9H,1H3/b19-9+.
What are the key properties of (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine?
(E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine has a molecular weight of 364.26 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 177385490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).