N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C24H19ClFN3O2S — CID 168579126

About N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168579126) has the molecular formula C24H19ClFN3O2S and a molecular weight of 467.95 g/mol. Its IUPAC name is N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
• PubChem CID: 168579126
• Molecular Formula: C24H19ClFN3O2S
• Molecular Weight: 467.95 g/mol
• Exact Mass: 467.09
• IUPAC Name: N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
• SMILES: COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1OCc1c(F)cccc1Cl
• InChI: InChI=1S/C24H19ClFN3O2S/c1-30-22-11-10-16(12-23(22)31-14-18-19(25)8-5-9-20(18)26)13-27-29-24-28-21(15-32-24)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,28,29)
• InChIKey: DOGVUTXSYVXFAQ-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 55.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.95
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

The IUPAC name of N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168579126) is N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is COc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1OCc1c(F)cccc1Cl.

What is the InChIKey of N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

The InChIKey is DOGVUTXSYVXFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2S/c1-30-22-11-10-16(12-23(22)31-14-18-19(25)8-5-9-20(18)26)13-27-29-24-28-21(15-32-24)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3,(H,28,29).

What are the key properties of N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 467.95 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168579126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).