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

C22H24ClN3OS — CID 138392708

IUPAC4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCN2CCOCC2)c1
InChIInChI=1S/C22H24ClN3OS/c1-17-3-2-4-20(15-17)24-22-26(10-9-25-11-13-27-14-12-25)21(16-28-22)18-5-7-19(23)8-6-18/h2-8,15-16H,9-14H2,1H3/b24-22-
InChIKeyYDCLWOQMGVPCHM-GYHWCHFESA-N
MW413.97 g/mol
LogP4.74
Rot. Bonds5

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

4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (PubChem CID 138392708) has the molecular formula C22H24ClN3OS and a molecular weight of 413.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
PubChem CID138392708
Molecular FormulaC22H24ClN3OS
Molecular Weight413.97 g/mol
Exact Mass413.13
IUPAC Name4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCN2CCOCC2)c1
InChIInChI=1S/C22H24ClN3OS/c1-17-3-2-4-20(15-17)24-22-26(10-9-25-11-13-27-14-12-25)21(16-28-22)18-5-7-19(23)8-6-18/h2-8,15-16H,9-14H2,1H3/b24-22-
InChIKeyYDCLWOQMGVPCHM-GYHWCHFESA-N
XLogP4.74
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.97
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392716
4-(4-chlorophenyl)-N-(4-ethylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392799
N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18812826
N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine
CID 7614915
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392682
2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 755123
4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
CID 138392669
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392833
3-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 1017711
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 3800122
3-(2-morpholin-4-ylethyl)-N-phenyl-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 2015043
N-(3-chlorophenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 17388964

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (CID 138392708) is 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCN2CCOCC2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is YDCLWOQMGVPCHM-GYHWCHFESA-N. The full InChI is InChI=1S/C22H24ClN3OS/c1-17-3-2-4-20(15-17)24-22-26(10-9-25-11-13-27-14-12-25)21(16-28-22)18-5-7-19(23)8-6-18/h2-8,15-16H,9-14H2,1H3/b24-22-.
What are the key properties of 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 413.97 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138392708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).