5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

C19H13Cl2F3N4O4S — CID 169110370

About 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide

5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 169110370) has the molecular formula C19H13Cl2F3N4O4S and a molecular weight of 521.30 g/mol. Its IUPAC name is 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 169110370
• Molecular Formula: C19H13Cl2F3N4O4S
• Molecular Weight: 521.30 g/mol
• Exact Mass: 520.00
• IUPAC Name: 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1nc(C(=O)NCc2ccccc2OC(F)(F)F)c(NC(=O)c2cc(Cl)c(O)c(Cl)n2)s1
• InChI: InChI=1S/C19H13Cl2F3N4O4S/c1-8-26-13(17(31)25-7-9-4-2-3-5-12(9)32-19(22,23)24)18(33-8)28-16(30)11-6-10(20)14(29)15(21)27-11/h2-6,29H,7H2,1H3,(H,25,31)(H,28,30)
• InChIKey: NDZNLUKYZCJRAD-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 113.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.30
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 169110370) is 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2ccccc2OC(F)(F)F)c(NC(=O)c2cc(Cl)c(O)c(Cl)n2)s1.

What is the InChIKey of 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is NDZNLUKYZCJRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N4O4S/c1-8-26-13(17(31)25-7-9-4-2-3-5-12(9)32-19(22,23)24)18(33-8)28-16(30)11-6-10(20)14(29)15(21)27-11/h2-6,29H,7H2,1H3,(H,25,31)(H,28,30).

What are the key properties of 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?

5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 521.30 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 169110370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).