[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene

C38H29N7S3 — CID 46236695

About [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene

[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene (PubChem CID 46236695) has the molecular formula C38H29N7S3 and a molecular weight of 679.90 g/mol. Its IUPAC name is [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene.

Molecular Properties

• Compound Name: [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene
• PubChem CID: 46236695
• Molecular Formula: C38H29N7S3
• Molecular Weight: 679.90 g/mol
• Exact Mass: 679.16
• IUPAC Name: [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene
• SMILES: Cc1nc(-c2ccccc2)sc1C1=NN(c2nc(-c3sc(-c4ccccc4)nc3C)c(/N=N/c3ccccc3)s2)C(c2ccccc2)C1
• InChI: InChI=1S/C38H29N7S3/c1-24-33(46-35(39-24)27-17-9-4-10-18-27)30-23-31(26-15-7-3-8-16-26)45(44-30)38-41-32(37(48-38)43-42-29-21-13-6-14-22-29)34-25(2)40-36(47-34)28-19-11-5-12-20-28/h3-22,31H,23H2,1-2H3/b43-42+
• InChIKey: QOFVQVGOWOPPST-HBSCQBRPSA-N
• XLogP: 11.45
• TPSA: 78.99 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.90
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene?

The IUPAC name of [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene (CID 46236695) is [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene.

What is the SMILES notation for [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene?

The canonical SMILES for [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene is Cc1nc(-c2ccccc2)sc1C1=NN(c2nc(-c3sc(-c4ccccc4)nc3C)c(/N=N/c3ccccc3)s2)C(c2ccccc2)C1.

What is the InChIKey of [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene?

The InChIKey is QOFVQVGOWOPPST-HBSCQBRPSA-N. The full InChI is InChI=1S/C38H29N7S3/c1-24-33(46-35(39-24)27-17-9-4-10-18-27)30-23-31(26-15-7-3-8-16-26)45(44-30)38-41-32(37(48-38)43-42-29-21-13-6-14-22-29)34-25(2)40-36(47-34)28-19-11-5-12-20-28/h3-22,31H,23H2,1-2H3/b43-42+.

What are the key properties of [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene?

[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene has a molecular weight of 679.90 g/mol, XLogP of 11.45, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]-phenyldiazene is sourced from PubChem (CID 46236695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).