4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

C18H18F3N3O2S — CID 47036069

About 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47036069) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 47036069
• Molecular Formula: C18H18F3N3O2S
• Molecular Weight: 397.42 g/mol
• Exact Mass: 397.11
• IUPAC Name: 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ncsc1C(=O)NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C18H18F3N3O2S/c1-11-16(27-10-22-11)17(26)23-14(9-24-7-3-6-15(24)25)12-4-2-5-13(8-12)18(19,20)21/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,23,26)
• InChIKey: LMJPQXZLVKRTMM-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.42
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide (CID 47036069) is 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(CN1CCCC1=O)c1cccc(C(F)(F)F)c1.

What is the InChIKey of 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is LMJPQXZLVKRTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c1-11-16(27-10-22-11)17(26)23-14(9-24-7-3-6-15(24)25)12-4-2-5-13(8-12)18(19,20)21/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,23,26).

What are the key properties of 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide?

4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47036069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).