5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C21H15F3N2O2S2 — CID 167867162

About 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 167867162) has the molecular formula C21H15F3N2O2S2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 167867162
• Molecular Formula: C21H15F3N2O2S2
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.05
• IUPAC Name: 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C(F)(F)F)cc4)s3)s2)o1
• InChI: InChI=1S/C21H15F3N2O2S2/c1-12-2-7-16(28-12)17-8-9-18(30-17)19(27)26-20-25-11-15(29-20)10-13-3-5-14(6-4-13)21(22,23)24/h2-9,11H,10H2,1H3,(H,25,26,27)
• InChIKey: VMPLNLANEFEMDW-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 167867162) is 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ncc(Cc4ccc(C(F)(F)F)cc4)s3)s2)o1.

What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is VMPLNLANEFEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2S2/c1-12-2-7-16(28-12)17-8-9-18(30-17)19(27)26-20-25-11-15(29-20)10-13-3-5-14(6-4-13)21(22,23)24/h2-9,11H,10H2,1H3,(H,25,26,27).

What are the key properties of 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 167867162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).