4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine

C23H27N3O2S — CID 138392716

IUPAC4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCOc1cccc(-c2cs/c(=N\c3cccc(C)c3)n2CCN2CCOCC2)c1
InChIInChI=1S/C23H27N3O2S/c1-18-5-3-7-20(15-18)24-23-26(10-9-25-11-13-28-14-12-25)22(17-29-23)19-6-4-8-21(16-19)27-2/h3-8,15-17H,9-14H2,1-2H3/b24-23-
InChIKeyGOGZCWDNCPXZHH-VHXPQNKSSA-N
MW409.56 g/mol
LogP4.10
Rot. Bonds6

About 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine

4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (PubChem CID 138392716) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
PubChem CID138392716
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCOc1cccc(-c2cs/c(=N\c3cccc(C)c3)n2CCN2CCOCC2)c1
InChIInChI=1S/C23H27N3O2S/c1-18-5-3-7-20(15-18)24-23-26(10-9-25-11-13-28-14-12-25)22(17-29-23)19-6-4-8-21(16-19)27-2/h3-8,15-17H,9-14H2,1-2H3/b24-23-
InChIKeyGOGZCWDNCPXZHH-VHXPQNKSSA-N
XLogP4.10
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392708
N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18812826
4-(3-methoxyphenyl)-N-(4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-2-imine
CID 7614918
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 3800122
3-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 1017711
N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine
CID 7614915
3-(2-morpholin-4-ylethyl)-N-phenyl-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 2015043
4-[2-(4-methoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 18812831
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392833
4-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
CID 98185144
4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
CID 4233270
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392682

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (CID 138392716) is 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is COc1cccc(-c2cs/c(=N\c3cccc(C)c3)n2CCN2CCOCC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is GOGZCWDNCPXZHH-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-18-5-3-7-20(15-18)24-23-26(10-9-25-11-13-28-14-12-25)22(17-29-23)19-6-4-8-21(16-19)27-2/h3-8,15-17H,9-14H2,1-2H3/b24-23-.
What are the key properties of 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 409.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138392716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).