2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide

C19H17Cl2N3O2S — CID 24509607

About 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24509607) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 24509607
• Molecular Formula: C19H17Cl2N3O2S
• Molecular Weight: 422.34 g/mol
• Exact Mass: 421.04
• IUPAC Name: 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: COc1ccc(C)cc1-c1csc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)n1
• InChI: InChI=1S/C19H17Cl2N3O2S/c1-10-4-5-16(26-3)13(6-10)15-9-27-19(23-15)24-17(25)8-12-14(20)7-11(2)22-18(12)21/h4-7,9H,8H2,1-3H3,(H,23,24,25)
• InChIKey: ZRNQUOQXEXBWAF-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.34
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 24509607) is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(C)cc1-c1csc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)n1.

What is the InChIKey of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is ZRNQUOQXEXBWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-10-4-5-16(26-3)13(6-10)15-9-27-19(23-15)24-17(25)8-12-14(20)7-11(2)22-18(12)21/h4-7,9H,8H2,1-3H3,(H,23,24,25).

What are the key properties of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide?

2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 422.34 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24509607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).