2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide

C19H26F3IN6OS — CID 111689117

About 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide

2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide (PubChem CID 111689117) has the molecular formula C19H26F3IN6OS and a molecular weight of 570.42 g/mol. Its IUPAC name is 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
• PubChem CID: 111689117
• Molecular Formula: C19H26F3IN6OS
• Molecular Weight: 570.42 g/mol
• Exact Mass: 570.09
• IUPAC Name: 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
• SMILES: CCN/C(=N\CC(=O)N(C)CCc1ccccn1)NCCc1nc(C(F)(F)F)cs1.I
• InChI: InChI=1S/C19H25F3N6OS.HI/c1-3-23-18(25-10-7-16-27-15(13-30-16)19(20,21)22)26-12-17(29)28(2)11-8-14-6-4-5-9-24-14;/h4-6,9,13H,3,7-8,10-12H2,1-2H3,(H2,23,25,26);1H
• InChIKey: CIYTUUVSKYQJLC-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 82.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.42
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide?

The IUPAC name of 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide (CID 111689117) is 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide.

What is the SMILES notation for 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide?

The canonical SMILES for 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)CCc1ccccn1)NCCc1nc(C(F)(F)F)cs1.I.

What is the InChIKey of 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide?

The InChIKey is CIYTUUVSKYQJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6OS.HI/c1-3-23-18(25-10-7-16-27-15(13-30-16)19(20,21)22)26-12-17(29)28(2)11-8-14-6-4-5-9-24-14;/h4-6,9,13H,3,7-8,10-12H2,1-2H3,(H2,23,25,26);1H.

What are the key properties of 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide?

2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide has a molecular weight of 570.42 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[ethylamino-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide is sourced from PubChem (CID 111689117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).