N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

C22H20N4O2S — CID 135767861

About N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 135767861) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 135767861
• Molecular Formula: C22H20N4O2S
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.13
• IUPAC Name: N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
• SMILES: CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)Cc3nc(-c4ccccc4)cs3)c2c1
• InChI: InChI=1S/C22H20N4O2S/c1-13(2)15-8-9-17-16(10-15)21(22(28)24-17)26-25-19(27)11-20-23-18(12-29-20)14-6-4-3-5-7-14/h3-10,12-13,24,28H,11H2,1-2H3/b26-25+
• InChIKey: NRJLSXIUBNRUIG-OCEACIFDSA-N
• XLogP: 5.97
• TPSA: 90.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
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 N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 135767861) is N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)Cc3nc(-c4ccccc4)cs3)c2c1.

What is the InChIKey of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is NRJLSXIUBNRUIG-OCEACIFDSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-13(2)15-8-9-17-16(10-15)21(22(28)24-17)26-25-19(27)11-20-23-18(12-29-20)14-6-4-3-5-7-14/h3-10,12-13,24,28H,11H2,1-2H3/b26-25+.

What are the key properties of N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?

N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 404.50 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135767861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).