N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide

C21H26F3N5O2S — CID 42813267

About N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide

N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide (PubChem CID 42813267) has the molecular formula C21H26F3N5O2S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
• PubChem CID: 42813267
• Molecular Formula: C21H26F3N5O2S
• Molecular Weight: 469.53 g/mol
• Exact Mass: 469.18
• IUPAC Name: N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
• SMILES: CN(C)CCNC(=O)C1CCCCN1C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C21H26F3N5O2S/c1-28(2)11-9-25-18(30)17-8-3-4-10-29(17)19(31)16-13-32-20(27-16)26-15-7-5-6-14(12-15)21(22,23)24/h5-7,12-13,17H,3-4,8-11H2,1-2H3,(H,25,30)(H,26,27)
• InChIKey: FJYXHYMVWVXXKZ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.53
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide (CID 42813267) is N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide is CN(C)CCNC(=O)C1CCCCN1C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?

The InChIKey is FJYXHYMVWVXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O2S/c1-28(2)11-9-25-18(30)17-8-3-4-10-29(17)19(31)16-13-32-20(27-16)26-15-7-5-6-14(12-15)21(22,23)24/h5-7,12-13,17H,3-4,8-11H2,1-2H3,(H,25,30)(H,26,27).

What are the key properties of N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide?

N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 42813267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).