3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

C18H19Cl2N3S — CID 23856536

About 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23856536) has the molecular formula C18H19Cl2N3S and a molecular weight of 380.34 g/mol. Its IUPAC name is 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
• PubChem CID: 23856536
• Molecular Formula: C18H19Cl2N3S
• Molecular Weight: 380.34 g/mol
• Exact Mass: 379.07
• IUPAC Name: 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
• SMILES: C=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C1CCCCC1
• InChI: InChI=1S/C18H19Cl2N3S/c1-2-10-21-18-23(22-14-6-4-3-5-7-14)17(12-24-18)15-9-8-13(19)11-16(15)20/h2,8-9,11-12H,1,3-7,10H2/b21-18-
• InChIKey: DKAKWFWFYZTGRL-UZYVYHOESA-N
• XLogP: 5.78
• TPSA: 29.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.34
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?

The IUPAC name of 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (CID 23856536) is 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.

What is the SMILES notation for 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?

The canonical SMILES for 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccc(Cl)cc2Cl)n1N=C1CCCCC1.

What is the InChIKey of 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?

The InChIKey is DKAKWFWFYZTGRL-UZYVYHOESA-N. The full InChI is InChI=1S/C18H19Cl2N3S/c1-2-10-21-18-23(22-14-6-4-3-5-7-14)17(12-24-18)15-9-8-13(19)11-16(15)20/h2,8-9,11-12H,1,3-7,10H2/b21-18-.

What are the key properties of 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?

3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 380.34 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23856536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).