2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C17H10F6N6O4S2 — CID 141373175

About 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 141373175) has the molecular formula C17H10F6N6O4S2 and a molecular weight of 540.43 g/mol. Its IUPAC name is 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 141373175
• Molecular Formula: C17H10F6N6O4S2
• Molecular Weight: 540.43 g/mol
• Exact Mass: 540.01
• IUPAC Name: 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3sc(C)nc3C(F)(F)F)n2)s1
• InChI: InChI=1S/C17H10F6N6O4S2/c1-5-24-11(16(18,19)20)9(34-5)14(30)27-8-4-3-7(29(32)33)13(26-8)28-15(31)10-12(17(21,22)23)25-6(2)35-10/h3-4H,1-2H3,(H2,26,27,28,30,31)
• InChIKey: JZLMFEVLZYJHOI-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 140.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.43
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 141373175) is 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3sc(C)nc3C(F)(F)F)n2)s1.

What is the InChIKey of 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is JZLMFEVLZYJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N6O4S2/c1-5-24-11(16(18,19)20)9(34-5)14(30)27-8-4-3-7(29(32)33)13(26-8)28-15(31)10-12(17(21,22)23)25-6(2)35-10/h3-4H,1-2H3,(H2,26,27,28,30,31).

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

2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 540.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[6-[[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-5-nitro-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141373175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).