4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine

C28H20Cl2FN3S — CID 126190746

About 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 126190746) has the molecular formula C28H20Cl2FN3S and a molecular weight of 520.46 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine
• PubChem CID: 126190746
• Molecular Formula: C28H20Cl2FN3S
• Molecular Weight: 520.46 g/mol
• Exact Mass: 519.07
• IUPAC Name: 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine
• SMILES: Fc1ccccc1CCc1ccc2ccccc2c1/C=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1
• InChI: InChI=1S/C28H20Cl2FN3S/c29-21-13-14-23(25(30)15-21)27-17-35-28(33-27)34-32-16-24-19(10-9-18-5-1-3-7-22(18)24)11-12-20-6-2-4-8-26(20)31/h1-10,13-17H,11-12H2,(H,33,34)/b32-16-
• InChIKey: YNJVRVFOSWINHL-ZMGVVAQMSA-N
• XLogP: 8.64
• TPSA: 37.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.46
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine?

The IUPAC name of 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine (CID 126190746) is 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine is Fc1ccccc1CCc1ccc2ccccc2c1/C=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1.

What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine?

The InChIKey is YNJVRVFOSWINHL-ZMGVVAQMSA-N. The full InChI is InChI=1S/C28H20Cl2FN3S/c29-21-13-14-23(25(30)15-21)27-17-35-28(33-27)34-32-16-24-19(10-9-18-5-1-3-7-22(18)24)11-12-20-6-2-4-8-26(20)31/h1-10,13-17H,11-12H2,(H,33,34)/b32-16-.

What are the key properties of 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine?

4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 520.46 g/mol, XLogP of 8.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-N-[(Z)-[2-[2-(2-fluorophenyl)ethyl]naphthalen-1-yl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 126190746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).