4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine

C23H25Cl2N3O2S — CID 138392833

IUPAC4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(Cl)c(Cl)c3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H25Cl2N3O2S/c1-2-30-19-6-4-18(5-7-19)26-23-28(10-9-27-11-13-29-14-12-27)22(16-31-23)17-3-8-20(24)21(25)15-17/h3-8,15-16H,2,9-14H2,1H3/b26-23-
InChIKeyWWOQCMWJCXRMPY-RWEWTDSWSA-N
MW478.45 g/mol
LogP5.49
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine

4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (PubChem CID 138392833) has the molecular formula C23H25Cl2N3O2S and a molecular weight of 478.45 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
PubChem CID138392833
Molecular FormulaC23H25Cl2N3O2S
Molecular Weight478.45 g/mol
Exact Mass477.10
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(Cl)c(Cl)c3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H25Cl2N3O2S/c1-2-30-19-6-4-18(5-7-19)26-23-28(10-9-27-11-13-29-14-12-27)22(16-31-23)17-3-8-20(24)21(25)15-17/h3-8,15-16H,2,9-14H2,1H3/b26-23-
InChIKeyWWOQCMWJCXRMPY-RWEWTDSWSA-N
XLogP5.49
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.45
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18812826
4-(4-chlorophenyl)-N-(4-ethylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392799
4-[2-(4-ethoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 18813069
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 3800122
N-(4-ethoxyphenyl)-3-(2-methoxyethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813008
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
CID 45145106
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392708
4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392716
4-[2-(4-methoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 18812831
4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
CID 1037728

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (CID 138392833) is 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(Cl)c(Cl)c3)n2CCN2CCOCC2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is WWOQCMWJCXRMPY-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2S/c1-2-30-19-6-4-18(5-7-19)26-23-28(10-9-27-11-13-29-14-12-27)22(16-31-23)17-3-8-20(24)21(25)15-17/h3-8,15-16H,2,9-14H2,1H3/b26-23-.
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 478.45 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 138392833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).