(E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine

C18H15ClN2OS — CID 46501722

IUPAC(E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C18H15ClN2OS/c1-12-17(13-7-9-15(19)10-8-13)21-18(23-12)20-11-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3/b20-11+
InChIKeyGSWBSJISGITKFL-RGVLZGJSSA-N
MW342.85 g/mol
LogP5.53
Rot. Bonds4

About (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine

(E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine (PubChem CID 46501722) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine
PubChem CID46501722
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name(E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C18H15ClN2OS/c1-12-17(13-7-9-15(19)10-8-13)21-18(23-12)20-11-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3/b20-11+
InChIKeyGSWBSJISGITKFL-RGVLZGJSSA-N
XLogP5.53
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine (CID 46501722) is (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine is COc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(C)s1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine?
The InChIKey is GSWBSJISGITKFL-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-17(13-7-9-15(19)10-8-13)21-18(23-12)20-11-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3/b20-11+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine?
(E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine has a molecular weight of 342.85 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 46501722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).