N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C24H23F3N2O3S — CID 142066180

About N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 142066180) has the molecular formula C24H23F3N2O3S and a molecular weight of 476.52 g/mol. Its IUPAC name is N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 142066180
• Molecular Formula: C24H23F3N2O3S
• Molecular Weight: 476.52 g/mol
• Exact Mass: 476.14
• IUPAC Name: N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc(OC(C)(C)C=O)cc1
• InChI: InChI=1S/C24H23F3N2O3S/c1-15-20(33-21(28-15)17-7-9-18(10-8-17)24(25,26)27)22(31)29(4)13-16-5-11-19(12-6-16)32-23(2,3)14-30/h5-12,14H,13H2,1-4H3
• InChIKey: YLLTUKDAUKUWFI-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 59.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.52
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 142066180) is N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc(OC(C)(C)C=O)cc1.

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

The InChIKey is YLLTUKDAUKUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3S/c1-15-20(33-21(28-15)17-7-9-18(10-8-17)24(25,26)27)22(31)29(4)13-16-5-11-19(12-6-16)32-23(2,3)14-30/h5-12,14H,13H2,1-4H3.

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

N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-dimethyl-N-[[4-(2-methyl-1-oxopropan-2-yl)oxyphenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142066180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).