[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol

C22H22N6OS2 — CID 170542659

About [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol

[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol (PubChem CID 170542659) has the molecular formula C22H22N6OS2 and a molecular weight of 450.59 g/mol. Its IUPAC name is [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol.

Molecular Properties

• Compound Name: [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol
• PubChem CID: 170542659
• Molecular Formula: C22H22N6OS2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.13
• IUPAC Name: [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol
• SMILES: CCN(CC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CO)cc4)cc3s2)cc1
• InChI: InChI=1S/C22H22N6OS2/c1-3-28(4-2)18-11-9-17(10-12-18)25-27-22-23-21-19(30-22)13-20(31-21)26-24-16-7-5-15(14-29)6-8-16/h5-13,29H,3-4,14H2,1-2H3/b26-24+,27-25+
• InChIKey: LAEGTLZEXXLRHT-OWUYFMIJSA-N
• XLogP: 7.53
• TPSA: 85.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	1
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'}

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol?

The IUPAC name of [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol (CID 170542659) is [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol.

What is the SMILES notation for [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol?

The canonical SMILES for [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol is CCN(CC)c1ccc(/N=N/c2nc3sc(/N=N/c4ccc(CO)cc4)cc3s2)cc1.

What is the InChIKey of [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol?

The InChIKey is LAEGTLZEXXLRHT-OWUYFMIJSA-N. The full InChI is InChI=1S/C22H22N6OS2/c1-3-28(4-2)18-11-9-17(10-12-18)25-27-22-23-21-19(30-22)13-20(31-21)26-24-16-7-5-15(14-29)6-8-16/h5-13,29H,3-4,14H2,1-2H3/b26-24+,27-25+.

What are the key properties of [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol?

[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol has a molecular weight of 450.59 g/mol, XLogP of 7.53, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]methanol is sourced from PubChem (CID 170542659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).