[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene

C25H16Cl4N4S — CID 123398743

About [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene

[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene (PubChem CID 123398743) has the molecular formula C25H16Cl4N4S and a molecular weight of 546.31 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene.

Molecular Properties

• Compound Name: [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene
• PubChem CID: 123398743
• Molecular Formula: C25H16Cl4N4S
• Molecular Weight: 546.31 g/mol
• Exact Mass: 543.98
• IUPAC Name: [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene
• SMILES: Clc1ccc(Cn2cc(C/N=N/c3nc(-c4ccc(Cl)cc4Cl)cs3)c3ccccc32)c(Cl)c1
• InChI: InChI=1S/C25H16Cl4N4S/c26-17-6-5-15(21(28)9-17)12-33-13-16(19-3-1-2-4-24(19)33)11-30-32-25-31-23(14-34-25)20-8-7-18(27)10-22(20)29/h1-10,13-14H,11-12H2/b32-30+
• InChIKey: GOXVLELWPAYOED-NHQGMKOOSA-N
• XLogP: 9.71
• TPSA: 42.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.31
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene?

The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene (CID 123398743) is [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene.

What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene?

The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene is Clc1ccc(Cn2cc(C/N=N/c3nc(-c4ccc(Cl)cc4Cl)cs3)c3ccccc32)c(Cl)c1.

What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene?

The InChIKey is GOXVLELWPAYOED-NHQGMKOOSA-N. The full InChI is InChI=1S/C25H16Cl4N4S/c26-17-6-5-15(21(28)9-17)12-33-13-16(19-3-1-2-4-24(19)33)11-30-32-25-31-23(14-34-25)20-8-7-18(27)10-22(20)29/h1-10,13-14H,11-12H2/b32-30+.

What are the key properties of [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene?

[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene has a molecular weight of 546.31 g/mol, XLogP of 9.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]diazene is sourced from PubChem (CID 123398743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).