N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide

C26H22N4O3S — CID 123907147

About N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide

N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 123907147) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide
• PubChem CID: 123907147
• Molecular Formula: C26H22N4O3S
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.14
• IUPAC Name: N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide
• SMILES: Cc1cc(C(=O)NCCO)[nH]c1C=C1C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C26H22N4O3S/c1-15-11-22(25(33)27-9-10-31)28-21(15)13-19-18-12-17(7-8-20(18)29-24(19)32)23-14-34-26(30-23)16-5-3-2-4-6-16/h2-8,11-14,28,31H,9-10H2,1H3,(H,27,33)(H,29,32)
• InChIKey: CGJTUJMRWJMAKS-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 107.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide (CID 123907147) is N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide is Cc1cc(C(=O)NCCO)[nH]c1C=C1C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc21.

What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide?

The InChIKey is CGJTUJMRWJMAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-15-11-22(25(33)27-9-10-31)28-21(15)13-19-18-12-17(7-8-20(18)29-24(19)32)23-14-34-26(30-23)16-5-3-2-4-6-16/h2-8,11-14,28,31H,9-10H2,1H3,(H,27,33)(H,29,32).

What are the key properties of N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide?

N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-4-methyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 123907147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).