5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide

C23H22N4OS — CID 134082228

About 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide

5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide (PubChem CID 134082228) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
• PubChem CID: 134082228
• Molecular Formula: C23H22N4OS
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.15
• IUPAC Name: 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
• SMILES: Cc1c(C(N)=O)cc(-c2csc(Nc3ccccc3)n2)n1CCc1ccccc1
• InChI: InChI=1S/C23H22N4OS/c1-16-19(22(24)28)14-21(27(16)13-12-17-8-4-2-5-9-17)20-15-29-23(26-20)25-18-10-6-3-7-11-18/h2-11,14-15H,12-13H2,1H3,(H2,24,28)(H,25,26)
• InChIKey: MMBGLGAGLDZHTL-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 72.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide?

The IUPAC name of 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide (CID 134082228) is 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide.

What is the SMILES notation for 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide?

The canonical SMILES for 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2csc(Nc3ccccc3)n2)n1CCc1ccccc1.

What is the InChIKey of 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide?

The InChIKey is MMBGLGAGLDZHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-16-19(22(24)28)14-21(27(16)13-12-17-8-4-2-5-9-17)20-15-29-23(26-20)25-18-10-6-3-7-11-18/h2-11,14-15H,12-13H2,1H3,(H2,24,28)(H,25,26).

What are the key properties of 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide?

5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 134082228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).