N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

C18H12ClF4N3OS — CID 30940704

About N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 30940704) has the molecular formula C18H12ClF4N3OS and a molecular weight of 429.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
• PubChem CID: 30940704
• Molecular Formula: C18H12ClF4N3OS
• Molecular Weight: 429.83 g/mol
• Exact Mass: 429.03
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
• SMILES: O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc(F)c(Cl)c1
• InChI: InChI=1S/C18H12ClF4N3OS/c19-14-7-12(4-5-15(14)20)24-16(27)8-13-9-28-17(26-13)25-11-3-1-2-10(6-11)18(21,22)23/h1-7,9H,8H2,(H,24,27)(H,25,26)
• InChIKey: XOBSLNKSCVEEEF-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.83
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (CID 30940704) is N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc(F)c(Cl)c1.

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

The InChIKey is XOBSLNKSCVEEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3OS/c19-14-7-12(4-5-15(14)20)24-16(27)8-13-9-28-17(26-13)25-11-3-1-2-10(6-11)18(21,22)23/h1-7,9H,8H2,(H,24,27)(H,25,26).

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

N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 429.83 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30940704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).