2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide

C126H139F2N37O8S5 — CID 160987261

About 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide

2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 160987261) has the molecular formula C126H139F2N37O8S5 and a molecular weight of 2498.08 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 160987261
• Molecular Formula: C126H139F2N37O8S5
• Molecular Weight: 2498.08 g/mol
• Exact Mass: 2496.02
• IUPAC Name: 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide
• SMILES: C.C.C.C.C.COCCOc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccc(F)c(F)c3)cn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccc4ncccc4c3)cn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3cccc(N4CCCC4)c3)cn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccccc3)cn2)n1
• InChI: InChI=1S/C26H28N8OS.C26H29N7O4S.C25H22N8OS.C22H19F2N7OS.C22H21N7OS.5CH4/c35-25(30-22-16-28-7-6-24(22)33-12-8-27-9-13-33)23-18-36-26(31-23)34-17-20(15-29-34)19-4-3-5-21(14-19)32-10-1-2-11-32;1-35-11-12-37-23-4-3-18(13-24(23)36-2)19-14-29-33(16-19)26-31-21(17-38-26)25(34)30-20-15-28-6-5-22(20)32-9-7-27-8-10-32;34-24(30-21-14-27-7-5-23(21)32-10-8-26-9-11-32)22-16-35-25(31-22)33-15-19(13-29-33)17-3-4-20-18(12-17)2-1-6-28-20;23-16-2-1-14(9-17(16)24)15-10-27-31(12-15)22-29-19(13-33-22)21(32)28-18-11-26-4-3-20(18)30-7-5-25-6-8-30;30-21(26-18-13-24-7-6-20(18)28-10-8-23-9-11-28)19-15-31-22(27-19)29-14-17(12-25-29)16-4-2-1-3-5-16;;;;;/h3-7,14-18,27H,1-2,8-13H2,(H,30,35);3-6,13-17,27H,7-12H2,1-2H3,(H,30,34);1-7,12-16,26H,8-11H2,(H,30,34);1-4,9-13,25H,5-8H2,(H,28,32);1-7,12-15,23H,8-11H2,(H,26,30);5*1H4
• InChIKey: TUDIMECHGIALDL-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 483.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 31
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2498.08
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide (CID 160987261) is 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide is C.C.C.C.C.COCCOc1ccc(-c2cnn(-c3nc(C(=O)Nc4cnccc4N4CCNCC4)cs3)c2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccc(F)c(F)c3)cn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccc4ncccc4c3)cn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3cccc(N4CCCC4)c3)cn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc(-c3ccccc3)cn2)n1.

What is the InChIKey of 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is TUDIMECHGIALDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8OS.C26H29N7O4S.C25H22N8OS.C22H19F2N7OS.C22H21N7OS.5CH4/c35-25(30-22-16-28-7-6-24(22)33-12-8-27-9-13-33)23-18-36-26(31-23)34-17-20(15-29-34)19-4-3-5-21(14-19)32-10-1-2-11-32;1-35-11-12-37-23-4-3-18(13-24(23)36-2)19-14-29-33(16-19)26-31-21(17-38-26)25(34)30-20-15-28-6-5-22(20)32-9-7-27-8-10-32;34-24(30-21-14-27-7-5-23(21)32-10-8-26-9-11-32)22-16-35-25(31-22)33-15-19(13-29-33)17-3-4-20-18(12-17)2-1-6-28-20;23-16-2-1-14(9-17(16)24)15-10-27-31(12-15)22-29-19(13-33-22)21(32)28-18-11-26-4-3-20(18)30-7-5-25-6-8-30;30-21(26-18-13-24-7-6-20(18)28-10-8-23-9-11-28)19-15-31-22(27-19)29-14-17(12-25-29)16-4-2-1-3-5-16;;;;;/h3-7,14-18,27H,1-2,8-13H2,(H,30,35);3-6,13-17,27H,7-12H2,1-2H3,(H,30,34);1-7,12-16,26H,8-11H2,(H,30,34);1-4,9-13,25H,5-8H2,(H,28,32);1-7,12-15,23H,8-11H2,(H,26,30);5*1H4.

What are the key properties of 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide?

2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2498.08 g/mol, XLogP of 19.90, 31 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(4-phenylpyrazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-quinolin-6-ylpyrazol-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 160987261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).