N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

C20H15F3N4OS2 — CID 18832604

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 18832604) has the molecular formula C20H15F3N4OS2 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
• PubChem CID: 18832604
• Molecular Formula: C20H15F3N4OS2
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.06
• IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
• SMILES: Cc1nc(NC(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)sc1C
• InChI: InChI=1S/C20H15F3N4OS2/c1-11-12(2)30-19(24-11)25-18(28)13-5-7-14(8-6-13)27-15(16-4-3-9-29-16)10-17(26-27)20(21,22)23/h3-10H,1-2H3,(H,24,25,28)
• InChIKey: PEBCUWZZDFVBBP-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?

The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 18832604) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is Cc1nc(NC(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)sc1C.

What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?

The InChIKey is PEBCUWZZDFVBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS2/c1-11-12(2)30-19(24-11)25-18(28)13-5-7-14(8-6-13)27-15(16-4-3-9-29-16)10-17(26-27)20(21,22)23/h3-10H,1-2H3,(H,24,25,28).

What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 448.50 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 18832604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).