2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide

C20H14F3N5O2S — CID 146775812

About 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide

2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 146775812) has the molecular formula C20H14F3N5O2S and a molecular weight of 445.43 g/mol. Its IUPAC name is 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 146775812
• Molecular Formula: C20H14F3N5O2S
• Molecular Weight: 445.43 g/mol
• Exact Mass: 445.08
• IUPAC Name: 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1sc(Nc2ccccc2)nc1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1
• InChI: InChI=1S/C20H14F3N5O2S/c1-11-15(26-19(31-11)25-13-5-3-2-4-6-13)17(29)24-14-9-7-12(8-10-14)16-27-18(30-28-16)20(21,22)23/h2-10H,1H3,(H,24,29)(H,25,26)
• InChIKey: RSRVNCFGUSSKED-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.43
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 146775812) is 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide is Cc1sc(Nc2ccccc2)nc1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1.

What is the InChIKey of 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide?

The InChIKey is RSRVNCFGUSSKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2S/c1-11-15(26-19(31-11)25-13-5-3-2-4-6-13)17(29)24-14-9-7-12(8-10-14)16-27-18(30-28-16)20(21,22)23/h2-10H,1H3,(H,24,29)(H,25,26).

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

2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 445.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146775812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).