4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline

C30H40N6OS2Si — CID 170542713

About 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline

4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline (PubChem CID 170542713) has the molecular formula C30H40N6OS2Si and a molecular weight of 592.91 g/mol. Its IUPAC name is 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline.

Molecular Properties

• Compound Name: 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline
• PubChem CID: 170542713
• Molecular Formula: C30H40N6OS2Si
• Molecular Weight: 592.91 g/mol
• Exact Mass: 592.25
• IUPAC Name: 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline
• SMILES: CCN(CC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CCO[Si](CC)(CC)C(C)C)cc4)cc3s2)cc1
• InChI: InChI=1S/C30H40N6OS2Si/c1-7-36(8-2)26-17-15-25(16-18-26)33-35-30-31-29-27(38-30)21-28(39-29)34-32-24-13-11-23(12-14-24)19-20-37-40(9-3,10-4)22(5)6/h11-18,21-22H,7-10,19-20H2,1-6H3/b34-32+,35-33+
• InChIKey: TXFGXKQUJZEJHF-XUXOKTBYSA-N
• XLogP: 10.99
• TPSA: 74.80 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.91
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline?

The IUPAC name of 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline (CID 170542713) is 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline.

What is the SMILES notation for 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline?

The canonical SMILES for 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CCO[Si](CC)(CC)C(C)C)cc4)cc3s2)cc1.

What is the InChIKey of 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline?

The InChIKey is TXFGXKQUJZEJHF-XUXOKTBYSA-N. The full InChI is InChI=1S/C30H40N6OS2Si/c1-7-36(8-2)26-17-15-25(16-18-26)33-35-30-31-29-27(38-30)21-28(39-29)34-32-24-13-11-23(12-14-24)19-20-37-40(9-3,10-4)22(5)6/h11-18,21-22H,7-10,19-20H2,1-6H3/b34-32+,35-33+.

What are the key properties of 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline?

4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline has a molecular weight of 592.91 g/mol, XLogP of 10.99, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[[4-[2-[diethyl(propan-2-yl)silyl]oxyethyl]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline is sourced from PubChem (CID 170542713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).