4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine

C22H22Cl2N4OS — CID 23884824

IUPAC4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=C(C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H22Cl2N4OS/c1-15(16-3-6-18(7-4-16)27-9-11-29-12-10-27)26-28-21(14-30-22(28)25-2)19-13-17(23)5-8-20(19)24/h3-8,13-14H,9-12H2,1-2H3/b25-22-,26-15?
InChIKeyWMZJVJXBUNYPAG-BTKBRLNJSA-N
MW461.42 g/mol
LogP5.16
Rot. Bonds4

About 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine

4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine (PubChem CID 23884824) has the molecular formula C22H22Cl2N4OS and a molecular weight of 461.42 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine
PubChem CID23884824
Molecular FormulaC22H22Cl2N4OS
Molecular Weight461.42 g/mol
Exact Mass460.09
IUPAC Name4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=C(C)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H22Cl2N4OS/c1-15(16-3-6-18(7-4-16)27-9-11-29-12-10-27)26-28-21(14-30-22(28)25-2)19-13-17(23)5-8-20(19)24/h3-8,13-14H,9-12H2,1-2H3/b25-22-,26-15?
InChIKeyWMZJVJXBUNYPAG-BTKBRLNJSA-N
XLogP5.16
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-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

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine (CID 23884824) is 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2cc(Cl)ccc2Cl)n1N=C(C)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is WMZJVJXBUNYPAG-BTKBRLNJSA-N. The full InChI is InChI=1S/C22H22Cl2N4OS/c1-15(16-3-6-18(7-4-16)27-9-11-29-12-10-27)26-28-21(14-30-22(28)25-2)19-13-17(23)5-8-20(19)24/h3-8,13-14H,9-12H2,1-2H3/b25-22-,26-15?.
What are the key properties of 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine?
4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 461.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-N-methyl-3-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23884824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).