2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide

C21H17ClN4OS — CID 50836356

About 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide

2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 50836356) has the molecular formula C21H17ClN4OS and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
• PubChem CID: 50836356
• Molecular Formula: C21H17ClN4OS
• Molecular Weight: 408.91 g/mol
• Exact Mass: 408.08
• IUPAC Name: 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
• SMILES: Cc1ccnc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)c1
• InChI: InChI=1S/C21H17ClN4OS/c1-14-8-9-23-19(11-14)25-20(27)12-26-10-2-3-18(26)21-24-17(13-28-21)15-4-6-16(22)7-5-15/h2-11,13H,12H2,1H3,(H,23,25,27)
• InChIKey: ZDHVHCMTONKIEB-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.91
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide?

The IUPAC name of 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide (CID 50836356) is 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide?

The canonical SMILES for 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)c1.

What is the InChIKey of 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide?

The InChIKey is ZDHVHCMTONKIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4OS/c1-14-8-9-23-19(11-14)25-20(27)12-26-10-2-3-18(26)21-24-17(13-28-21)15-4-6-16(22)7-5-15/h2-11,13H,12H2,1H3,(H,23,25,27).

What are the key properties of 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide?

2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 408.91 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 50836356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).