N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C19H15F3N2OS2 — CID 31701201

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

N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 31701201) has the molecular formula C19H15F3N2OS2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
• PubChem CID: 31701201
• Molecular Formula: C19H15F3N2OS2
• Molecular Weight: 408.47 g/mol
• Exact Mass: 408.06
• IUPAC Name: N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
• SMILES: CSc1cccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
• InChI: InChI=1S/C19H15F3N2OS2/c1-26-16-4-2-3-14(9-16)23-17(25)10-15-11-27-18(24-15)12-5-7-13(8-6-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)
• InChIKey: UJWQUXFCVMSKRY-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.47
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 31701201) is N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CSc1cccc(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1.

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

The InChIKey is UJWQUXFCVMSKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2OS2/c1-26-16-4-2-3-14(9-16)23-17(25)10-15-11-27-18(24-15)12-5-7-13(8-6-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,25).

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

N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 408.47 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 31701201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).