2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride

C125H131ClF3N43O7S7 — CID 158591199

IUPAC2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cn2c(-c3cnn(CC(=O)O)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1ncc2c(n1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.Cl.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2ccccc12.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C21H23F3N8OS2.C21H24N8O2S.C21H23N7OS.C21H21N7OS.C21H20N6OS.C20H19N7OS.ClH/c22-21(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;1-14-10-29-17(15-8-23-28(11-15)13-19(30)31)9-22-21(29)20(24-14)25-18-7-16(26-32-18)12-27-5-3-2-4-6-27;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;28-20(24-16-6-2-4-8-19(16)26-11-9-22-10-12-26)17-14-29-21(25-17)27-18-7-3-1-5-15(18)13-23-27;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;/h1-4,13,25H,5-12H2,(H,26,33);7-11H,2-6,12-13H2,1H3,(H,24,25)(H,30,31);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);1-8,13-14,22H,9-12H2,(H,24,28);1-6,11-13,21H,7-10H2,(H,24,28);1H
InChIKeyPHVDODPQSLAEPF-UHFFFAOYSA-N
MW2664.63 g/mol
LogP17.43
Rot. Bonds28

About 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 158591199) has the molecular formula C125H131ClF3N43O7S7 and a molecular weight of 2664.63 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-(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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID158591199
Molecular FormulaC125H131ClF3N43O7S7
Molecular Weight2664.63 g/mol
Exact Mass2661.89
IUPAC Name2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cn2c(-c3cnn(CC(=O)O)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1ncc2c(n1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.Cl.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2ccccc12.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C21H23F3N8OS2.C21H24N8O2S.C21H23N7OS.C21H21N7OS.C21H20N6OS.C20H19N7OS.ClH/c22-21(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;1-14-10-29-17(15-8-23-28(11-15)13-19(30)31)9-22-21(29)20(24-14)25-18-7-16(26-32-18)12-27-5-3-2-4-6-27;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;28-20(24-16-6-2-4-8-19(16)26-11-9-22-10-12-26)17-14-29-21(25-17)27-18-7-3-1-5-15(18)13-23-27;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;/h1-4,13,25H,5-12H2,(H,26,33);7-11H,2-6,12-13H2,1H3,(H,24,25)(H,30,31);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);1-8,13-14,22H,9-12H2,(H,24,28);1-6,11-13,21H,7-10H2,(H,24,28);1H
InChIKeyPHVDODPQSLAEPF-UHFFFAOYSA-N
XLogP17.43
TPSA553.42 Ų
H-Bond Donors13
H-Bond Acceptors51
Rotatable Bonds28
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002664.63
LogP ≤ 517.43
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1051

Analyze 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

CID 160725837
CID 160725837
tert-butyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate;2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]propanamide;3-methyl-5-[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]-1,2-thiazole;2-[(6-methyl-2-pyridinyl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole;1-(3-methyl-2-pyridinyl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole;4-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazole;N-[4-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 161900217
2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 162225416
tert-butyl 4-[3-[[2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate;hexahexaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65-pentahexacontaene;methane;2-[3-[(3-methyl-1,2-thiazol-5-yl)amino]indazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 157064055
N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide
CID 157133729
N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 158277928
N-(3-fluoro-4-pyridinyl)-2-[3-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]acetamide;N-(3-fluoro-4-pyridinyl)-2-[5-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-3-pyridinyl]acetamide;N-(3-fluoro-4-pyridinyl)-2-[2-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]-1,3-thiazol-5-yl]acetamide
CID 158343076
N-(2-aminophenyl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide;bis(N-(2-aminophenyl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide);N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide;5-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylthiophene-2-carboxamide;5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylthiophene-2-carboxamide
CID 158357949
2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 158773069
1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine
CID 159128261
Cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159139260
Cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159170932

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-(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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 158591199) is 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride.
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-(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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1cn2c(-c3cnn(CC(=O)O)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1.Cc1ncc2c(n1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.Cl.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2ccccc12.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.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-(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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is PHVDODPQSLAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N8OS2.C21H24N8O2S.C21H23N7OS.C21H21N7OS.C21H20N6OS.C20H19N7OS.ClH/c22-21(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;1-14-10-29-17(15-8-23-28(11-15)13-19(30)31)9-22-21(29)20(24-14)25-18-7-16(26-32-18)12-27-5-3-2-4-6-27;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;28-20(24-16-6-2-4-8-19(16)26-11-9-22-10-12-26)17-14-29-21(25-17)27-18-7-3-1-5-15(18)13-23-27;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;/h1-4,13,25H,5-12H2,(H,26,33);7-11H,2-6,12-13H2,1H3,(H,24,25)(H,30,31);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);1-8,13-14,22H,9-12H2,(H,24,28);1-6,11-13,21H,7-10H2,(H,24,28);1H.
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-(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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 2664.63 g/mol, XLogP of 17.43, 28 rotatable bonds, 13 hydrogen bond donors, and 51 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-(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;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 158591199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).