3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine

C20H12Br2FN3S2 — CID 3888069

About 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine

3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 3888069) has the molecular formula C20H12Br2FN3S2 and a molecular weight of 537.28 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine
• PubChem CID: 3888069
• Molecular Formula: C20H12Br2FN3S2
• Molecular Weight: 537.28 g/mol
• Exact Mass: 534.88
• IUPAC Name: 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine
• SMILES: Fc1ccccc1/N=c1\scc(-c2ccc(Br)s2)n1N=Cc1ccccc1Br
• InChI: InChI=1S/C20H12Br2FN3S2/c21-14-6-2-1-5-13(14)11-24-26-17(18-9-10-19(22)28-18)12-27-20(26)25-16-8-4-3-7-15(16)23/h1-12H/b24-11?,25-20-
• InChIKey: GQYOFQVVHQNKED-OGNRGYFLSA-N
• XLogP: 7.06
• TPSA: 29.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.28
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine?

The IUPAC name of 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine (CID 3888069) is 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine.

What is the SMILES notation for 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine?

The canonical SMILES for 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine is Fc1ccccc1/N=c1\scc(-c2ccc(Br)s2)n1N=Cc1ccccc1Br.

What is the InChIKey of 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine?

The InChIKey is GQYOFQVVHQNKED-OGNRGYFLSA-N. The full InChI is InChI=1S/C20H12Br2FN3S2/c21-14-6-2-1-5-13(14)11-24-26-17(18-9-10-19(22)28-18)12-27-20(26)25-16-8-4-3-7-15(16)23/h1-12H/b24-11?,25-20-.

What are the key properties of 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine?

3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 537.28 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-bromophenyl)methylideneamino]-4-(5-bromothiophen-2-yl)-N-(2-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3888069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).