2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide

C136H92ClF30N39O9S9 — CID 160674168

About 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide

2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide (PubChem CID 160674168) has the molecular formula C136H92ClF30N39O9S9 and a molecular weight of 3310.49 g/mol. Its IUPAC name is 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 160674168
• Molecular Formula: C136H92ClF30N39O9S9
• Molecular Weight: 3310.49 g/mol
• Exact Mass: 3307.46
• IUPAC Name: 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2cnc(-c3cc(C(F)(F)F)nn3C)s2)cc1.Cc1cccnc1C(=O)Nc1cnc(-c2cc(C(F)(F)F)nn2C)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1.Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2ccccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2ccccc2F)s1.[C-]#[N+]c1cc(-c2ncc(NC(=O)c3c(F)cccc3F)s2)n(C)n1.[C-]#[N+]c1cc(-c2ncc(NC(=O)c3ccccc3F)s2)n(C)n1
• InChI: InChI=1S/C16H13F3N4OS.C15H10ClF3N4OS.2C15H9F5N4OS.2C15H10F4N4OS.C15H12F3N5OS.C15H9F2N5OS.C15H10FN5OS/c1-9-3-5-10(6-4-9)14(24)21-13-8-20-15(25-13)11-7-12(16(17,18)19)22-23(11)2;1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16;2*1-24-9(5-10(23-24)15(18,19)20)14-21-6-11(26-14)22-13(25)12-7(16)3-2-4-8(12)17;2*1-23-10(6-11(22-23)15(17,18)19)14-20-7-12(25-14)21-13(24)8-4-2-3-5-9(8)16;1-8-4-3-5-19-12(8)13(24)21-11-7-20-14(25-11)9-6-10(15(16,17)18)22-23(9)2;1-18-11-6-10(22(2)21-11)15-19-7-12(24-15)20-14(23)13-8(16)4-3-5-9(13)17;1-17-12-7-11(21(2)20-12)15-18-8-13(23-15)19-14(22)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,21,24);2-7H,1H3,(H,20,21,24);2*2-6H,1H3,(H,22,25);2*2-7H,1H3,(H,21,24);3-7H,1-2H3,(H,21,24);3-7H,2H3,(H,20,23);3-8H,2H3,(H,19,22)
• InChIKey: RNHXBXNYRNFTLO-UHFFFAOYSA-N
• XLogP: 35.31
• TPSA: 559.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 27
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3310.49
LogP ≤ 5	35.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide (CID 160674168) is 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cnc(-c3cc(C(F)(F)F)nn3C)s2)cc1.Cc1cccnc1C(=O)Nc1cnc(-c2cc(C(F)(F)F)nn2C)s1.Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1.Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2ccccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2ccccc2F)s1.[C-]#[N+]c1cc(-c2ncc(NC(=O)c3c(F)cccc3F)s2)n(C)n1.[C-]#[N+]c1cc(-c2ncc(NC(=O)c3ccccc3F)s2)n(C)n1.

What is the InChIKey of 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide?

The InChIKey is RNHXBXNYRNFTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS.C15H10ClF3N4OS.2C15H9F5N4OS.2C15H10F4N4OS.C15H12F3N5OS.C15H9F2N5OS.C15H10FN5OS/c1-9-3-5-10(6-4-9)14(24)21-13-8-20-15(25-13)11-7-12(16(17,18)19)22-23(11)2;1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16;2*1-24-9(5-10(23-24)15(18,19)20)14-21-6-11(26-14)22-13(25)12-7(16)3-2-4-8(12)17;2*1-23-10(6-11(22-23)15(17,18)19)14-20-7-12(25-14)21-13(24)8-4-2-3-5-9(8)16;1-8-4-3-5-19-12(8)13(24)21-11-7-20-14(25-11)9-6-10(15(16,17)18)22-23(9)2;1-18-11-6-10(22(2)21-11)15-19-7-12(24-15)20-14(23)13-8(16)4-3-5-9(13)17;1-17-12-7-11(21(2)20-12)15-18-8-13(23-15)19-14(22)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,21,24);2-7H,1H3,(H,20,21,24);2*2-6H,1H3,(H,22,25);2*2-7H,1H3,(H,21,24);3-7H,1-2H3,(H,21,24);3-7H,2H3,(H,20,23);3-8H,2H3,(H,19,22).

What are the key properties of 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide?

2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide has a molecular weight of 3310.49 g/mol, XLogP of 35.31, 27 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2,6-difluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);2-fluoro-N-[2-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]benzamide;bis(2-fluoro-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide);4-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;3-methyl-N-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 160674168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).