2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C86H61F16N35O5S5 — CID 157474563

About 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 157474563) has the molecular formula C86H61F16N35O5S5 and a molecular weight of 2128.98 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 157474563
• Molecular Formula: C86H61F16N35O5S5
• Molecular Weight: 2128.98 g/mol
• Exact Mass: 2127.39
• IUPAC Name: 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1[nH]ncc1-c1nc(C(=O)Nc2cn(C(F)F)nc2-c2ccccn2)cs1.Cc1[nH]ncc1-c1nc(C(=O)Nc2cn(C(F)F)nc2-c2ccccn2)cs1.O=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cnn(C(F)F)c2)n1.O=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cnn(CC(F)(F)F)c2)n1.O=C(Nc1cn(CC(F)(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1
• InChI: InChI=1S/C18H12F5N7OS.C17H11F4N7OS.C17H12F3N7OS.2C17H13F2N7OS/c19-17(20)30-7-12(14(28-30)11-3-1-2-4-24-11)26-15(31)13-8-32-16(27-13)10-5-25-29(6-10)9-18(21,22)23;18-16(19)27-6-9(5-23-27)15-25-12(8-30-15)14(29)24-11-7-28(17(20)21)26-13(11)10-3-1-2-4-22-10;18-17(19,20)9-27-7-12(14(26-27)11-3-1-2-4-21-11)24-15(28)13-8-29-16(25-13)10-5-22-23-6-10;2*1-9-10(6-21-24-9)16-23-13(8-28-16)15(27)22-12-7-26(17(18)19)25-14(12)11-4-2-3-5-20-11/h1-8,17H,9H2,(H,26,31);1-8,16-17H,(H,24,29);1-8H,9H2,(H,22,23)(H,24,28);2*2-8,17H,1H3,(H,21,24)(H,22,27)
• InChIKey: BVKYTHXZOVVUGG-UHFFFAOYSA-N
• XLogP: 19.88
• TPSA: 485.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.98
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 157474563) is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1[nH]ncc1-c1nc(C(=O)Nc2cn(C(F)F)nc2-c2ccccn2)cs1.Cc1[nH]ncc1-c1nc(C(=O)Nc2cn(C(F)F)nc2-c2ccccn2)cs1.O=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cnn(C(F)F)c2)n1.O=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cnn(CC(F)(F)F)c2)n1.O=C(Nc1cn(CC(F)(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2)n1.

What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is BVKYTHXZOVVUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N7OS.C17H11F4N7OS.C17H12F3N7OS.2C17H13F2N7OS/c19-17(20)30-7-12(14(28-30)11-3-1-2-4-24-11)26-15(31)13-8-32-16(27-13)10-5-25-29(6-10)9-18(21,22)23;18-16(19)27-6-9(5-23-27)15-25-12(8-30-15)14(29)24-11-7-28(17(20)21)26-13(11)10-3-1-2-4-22-10;18-17(19,20)9-27-7-12(14(26-27)11-3-1-2-4-21-11)24-15(28)13-8-29-16(25-13)10-5-22-23-6-10;2*1-9-10(6-21-24-9)16-23-13(8-28-16)15(27)22-12-7-26(17(18)19)25-14(12)11-4-2-3-5-20-11/h1-8,17H,9H2,(H,26,31);1-8,16-17H,(H,24,29);1-8H,9H2,(H,22,23)(H,24,28);2*2-8,17H,1H3,(H,21,24)(H,22,27).

What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?

2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2128.98 g/mol, XLogP of 19.88, 27 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-1,3-thiazole-4-carboxamide;bis(N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide;2-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157474563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).