2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

C109H124F3N35O7S6 — CID 162143377

About 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 162143377) has the molecular formula C109H124F3N35O7S6 and a molecular weight of 2285.82 g/mol. Its IUPAC name is 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 162143377
• Molecular Formula: C109H124F3N35O7S6
• Molecular Weight: 2285.82 g/mol
• Exact Mass: 2283.87
• IUPAC Name: 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
• SMILES: C.C.C.C.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.Cc1ncc2c(n1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2ccccc12.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1
• InChI: InChI=1S/C22H22N6O3S.C21H23F3N8OS2.C21H23N7OS.C21H21N7OS.C20H19N7OS.4CH4/c1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;22-21(23,24)18-28-29-20(35-18)32-11-9-31(10-12-32)19-27-15(13-34-19)17(33)26-14-3-1-2-4-16(14)30-7-5-25-6-8-30;1-14-23-10-15-11-28(12-17(15)24-14)21-26-18(13-30-21)20(29)25-16-4-2-3-5-19(16)27-8-6-22-7-9-27;22-19-14-5-1-3-7-17(14)28(26-19)21-25-16(13-30-21)20(29)24-15-6-2-4-8-18(15)27-11-9-23-10-12-27;28-19(24-15-12-22-6-5-18(15)26-9-7-21-8-10-26)16-13-29-20(25-16)27-17-4-2-1-3-14(17)11-23-27;;;;/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);1-4,13,25H,5-12H2,(H,26,33);2-5,10,13,22H,6-9,11-12H2,1H3,(H,25,29);1-8,13,23H,9-12H2,(H2,22,26)(H,24,29);1-6,11-13,21H,7-10H2,(H,24,28);4*1H4
• InChIKey: ZKFMPWSXVOEZIZ-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 464.56 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2285.82
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 162143377) is 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is C.C.C.C.COc1ccc2c(c1)C(=O)N(c1nc(C(=O)Nc3cnccc3N3CCNCC3)cs1)C2.Cc1ncc2c(n1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2ccccc12.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.

What is the InChIKey of 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is ZKFMPWSXVOEZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S.C21H23F3N8OS2.C21H23N7OS.C21H21N7OS.C20H19N7OS.4CH4/c1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27;22-21(23,24)18-28-29-20(35-18)32-11-9-31(10-12-32)19-27-15(13-34-19)17(33)26-14-3-1-2-4-16(14)30-7-5-25-6-8-30;1-14-23-10-15-11-28(12-17(15)24-14)21-26-18(13-30-21)20(29)25-16-4-2-3-5-19(16)27-8-6-22-7-9-27;22-19-14-5-1-3-7-17(14)28(26-19)21-25-16(13-30-21)20(29)24-15-6-2-4-8-18(15)27-11-9-23-10-12-27;28-19(24-15-12-22-6-5-18(15)26-9-7-21-8-10-26)16-13-29-20(25-16)27-17-4-2-1-3-14(17)11-23-27;;;;/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29);1-4,13,25H,5-12H2,(H,26,33);2-5,10,13,22H,6-9,11-12H2,1H3,(H,25,29);1-8,13,23H,9-12H2,(H2,22,26)(H,24,29);1-6,11-13,21H,7-10H2,(H,24,28);4*1H4.

What are the key properties of 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?

2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 2285.82 g/mol, XLogP of 15.60, 22 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162143377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).