N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H12BrF3N4OS — CID 43037722

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 43037722) has the molecular formula C16H12BrF3N4OS and a molecular weight of 445.26 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
• PubChem CID: 43037722
• Molecular Formula: C16H12BrF3N4OS
• Molecular Weight: 445.26 g/mol
• Exact Mass: 443.99
• IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
• SMILES: O=C(Cn1ccc(C(F)(F)F)n1)Nc1ncc(Cc2ccc(Br)cc2)s1
• InChI: InChI=1S/C16H12BrF3N4OS/c17-11-3-1-10(2-4-11)7-12-8-21-15(26-12)22-14(25)9-24-6-5-13(23-24)16(18,19)20/h1-6,8H,7,9H2,(H,21,22,25)
• InChIKey: KMHDIFSFWSCJCE-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.26
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 43037722) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1ncc(Cc2ccc(Br)cc2)s1.

What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The InChIKey is KMHDIFSFWSCJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N4OS/c17-11-3-1-10(2-4-11)7-12-8-21-15(26-12)22-14(25)9-24-6-5-13(23-24)16(18,19)20/h1-6,8H,7,9H2,(H,21,22,25).

What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 445.26 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43037722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).