N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H13F3N4OS — CID 9322110

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 9322110) has the molecular formula C19H13F3N4OS and a molecular weight of 402.40 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
• PubChem CID: 9322110
• Molecular Formula: C19H13F3N4OS
• Molecular Weight: 402.40 g/mol
• Exact Mass: 402.08
• IUPAC Name: N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
• SMILES: O=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2ccc3ccccc3c2)cs1
• InChI: InChI=1S/C19H13F3N4OS/c20-19(21,22)16-7-8-26(25-16)10-17(27)24-18-23-15(11-28-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11H,10H2,(H,23,24,27)
• InChIKey: FKFPFEAHXRXDFE-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.40
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 9322110) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2ccc3ccccc3c2)cs1.

What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The InChIKey is FKFPFEAHXRXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS/c20-19(21,22)16-7-8-26(25-16)10-17(27)24-18-23-15(11-28-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11H,10H2,(H,23,24,27).

What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 402.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 9322110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).