4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine

C15H9Cl3N2S — CID 2806631

IUPAC4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H9Cl3N2S/c16-10-6-4-9(5-7-10)13-8-21-15(19)20(13)12-3-1-2-11(17)14(12)18/h1-8,19H/b19-15-
InChIKeyQWPGICICOZDKKB-CYVLTUHYSA-N
MW355.68 g/mol
LogP5.65
Rot. Bonds2

About 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine

4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine (PubChem CID 2806631) has the molecular formula C15H9Cl3N2S and a molecular weight of 355.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine
PubChem CID2806631
Molecular FormulaC15H9Cl3N2S
Molecular Weight355.68 g/mol
Exact Mass353.96
IUPAC Name4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H9Cl3N2S/c16-10-6-4-9(5-7-10)13-8-21-15(19)20(13)12-3-1-2-11(17)14(12)18/h1-8,19H/b19-15-
InChIKeyQWPGICICOZDKKB-CYVLTUHYSA-N
XLogP5.65
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.68
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine (CID 2806631) is 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine is [H]/N=c1\scc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine?
The InChIKey is QWPGICICOZDKKB-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H9Cl3N2S/c16-10-6-4-9(5-7-10)13-8-21-15(19)20(13)12-3-1-2-11(17)14(12)18/h1-8,19H/b19-15-.
What are the key properties of 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine has a molecular weight of 355.68 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2806631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).