2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

C18H17ClN4OS — CID 22262839

About 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 22262839) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 22262839
• Molecular Formula: C18H17ClN4OS
• Molecular Weight: 372.88 g/mol
• Exact Mass: 372.08
• IUPAC Name: 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(C)c(NC(=O)c2cnc(Nc3cccc(Cl)n3)s2)c(C)c1
• InChI: InChI=1S/C18H17ClN4OS/c1-10-7-11(2)16(12(3)8-10)23-17(24)13-9-20-18(25-13)22-15-6-4-5-14(19)21-15/h4-9H,1-3H3,(H,23,24)(H,20,21,22)
• InChIKey: BVSKIMCXJWEGEJ-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.88
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
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-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide (CID 22262839) is 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(Nc3cccc(Cl)n3)s2)c(C)c1.

What is the InChIKey of 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?

The InChIKey is BVSKIMCXJWEGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-10-7-11(2)16(12(3)8-10)23-17(24)13-9-20-18(25-13)22-15-6-4-5-14(19)21-15/h4-9H,1-3H3,(H,23,24)(H,20,21,22).

What are the key properties of 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide?

2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-chloro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22262839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).