4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

C20H21N3O2S — CID 87026694

About 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (PubChem CID 87026694) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
• PubChem CID: 87026694
• Molecular Formula: C20H21N3O2S
• Molecular Weight: 367.47 g/mol
• Exact Mass: 367.14
• IUPAC Name: 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
• SMILES: CC(=O)c1cc(C(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)n(C)c1
• InChI: InChI=1S/C20H21N3O2S/c1-12-5-7-15(8-6-12)9-18-13(2)21-20(26-18)22-19(25)17-10-16(14(3)24)11-23(17)4/h5-8,10-11H,9H2,1-4H3,(H,21,22,25)
• InChIKey: ZIKGKVKKXKXFGJ-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.47
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?

The IUPAC name of 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (CID 87026694) is 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.

What is the SMILES notation for 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?

The canonical SMILES for 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)n(C)c1.

What is the InChIKey of 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?

The InChIKey is ZIKGKVKKXKXFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-5-7-15(8-6-12)9-18-13(2)21-20(26-18)22-19(25)17-10-16(14(3)24)11-23(17)4/h5-8,10-11H,9H2,1-4H3,(H,21,22,25).

What are the key properties of 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?

4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 87026694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).