4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide

C16H20F2N2OS2 — CID 68515099

About 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide

4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 68515099) has the molecular formula C16H20F2N2OS2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 68515099
• Molecular Formula: C16H20F2N2OS2
• Molecular Weight: 358.48 g/mol
• Exact Mass: 358.10
• IUPAC Name: 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C(F)F)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1
• InChI: InChI=1S/C16H20F2N2OS2/c1-8(2)7-9(3)13-11(5-6-22-13)20-16(21)14-12(15(17)18)19-10(4)23-14/h5-6,8-9,15H,7H2,1-4H3,(H,20,21)
• InChIKey: TWYFNXVNUVZDET-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.48
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide (CID 68515099) is 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C(F)F)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1.

What is the InChIKey of 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is TWYFNXVNUVZDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2OS2/c1-8(2)7-9(3)13-11(5-6-22-13)20-16(21)14-12(15(17)18)19-10(4)23-14/h5-6,8-9,15H,7H2,1-4H3,(H,20,21).

What are the key properties of 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide?

4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68515099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).