2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide

C120H138N40O6S6 — CID 161133670

IUPAC2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
SMILESC.C.C.C.C.C.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2nnc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc3ccccc3n2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cccn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ccnc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C21H20N6OS.C21H22N6OS.2C20H19N7OS.2C16H17N7OS.6CH4/c28-20(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;28-20(24-17-11-23-6-5-19(17)26-9-7-22-8-10-26)18-14-29-21(25-18)27-12-15-3-1-2-4-16(15)13-27;28-19(22-14-5-1-3-7-17(14)26-11-9-21-10-12-26)16-13-29-20(23-16)27-18-8-4-2-6-15(18)24-25-27;28-19(23-16-11-22-6-5-18(16)26-9-7-21-8-10-26)17-13-29-20(24-17)27-12-14-3-1-2-4-15(14)25-27;24-15(13-11-25-16(21-13)23-7-1-3-19-23)20-12-10-18-4-2-14(12)22-8-5-17-6-9-22;24-15(13-10-25-16(21-13)23-8-5-19-11-23)20-12-9-18-2-1-14(12)22-6-3-17-4-7-22;;;;;;/h1-8,13-14,22H,9-12H2,(H,24,28);1-6,11,14,22H,7-10,12-13H2,(H,24,28);1-8,13,21H,9-12H2,(H,22,28);1-6,11-13,21H,7-10H2,(H,23,28);1-4,7,10-11,17H,5-6,8-9H2,(H,20,24);1-2,5,8-11,17H,3-4,6-7H2,(H,20,24);6*1H4
InChIKeyUMNCLWAUSPEEJG-UHFFFAOYSA-N
MW2429.10 g/mol
LogP17.53
Rot. Bonds24

About 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide

2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 161133670) has the molecular formula C120H138N40O6S6 and a molecular weight of 2429.10 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
PubChem CID161133670
Molecular FormulaC120H138N40O6S6
Molecular Weight2429.10 g/mol
Exact Mass2427.00
IUPAC Name2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
SMILESC.C.C.C.C.C.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2nnc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc3ccccc3n2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cccn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ccnc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C21H20N6OS.C21H22N6OS.2C20H19N7OS.2C16H17N7OS.6CH4/c28-20(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;28-20(24-17-11-23-6-5-19(17)26-9-7-22-8-10-26)18-14-29-21(25-18)27-12-15-3-1-2-4-16(15)13-27;28-19(22-14-5-1-3-7-17(14)26-11-9-21-10-12-26)16-13-29-20(23-16)27-18-8-4-2-6-15(18)24-25-27;28-19(23-16-11-22-6-5-18(16)26-9-7-21-8-10-26)17-13-29-20(24-17)27-12-14-3-1-2-4-15(14)25-27;24-15(13-11-25-16(21-13)23-7-1-3-19-23)20-12-10-18-4-2-14(12)22-8-5-17-6-9-22;24-15(13-10-25-16(21-13)23-8-5-19-11-23)20-12-9-18-2-1-14(12)22-6-3-17-4-7-22;;;;;;/h1-8,13-14,22H,9-12H2,(H,24,28);1-6,11,14,22H,7-10,12-13H2,(H,24,28);1-8,13,21H,9-12H2,(H,22,28);1-6,11-13,21H,7-10H2,(H,23,28);1-4,7,10-11,17H,5-6,8-9H2,(H,20,24);1-2,5,8-11,17H,3-4,6-7H2,(H,20,24);6*1H4
InChIKeyUMNCLWAUSPEEJG-UHFFFAOYSA-N
XLogP17.53
TPSA500.35 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds24
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002429.10
LogP ≤ 517.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Analyze 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-benzimidazole;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;1H-imidazole;isoquinoline;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;1,2,4-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 157705336
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
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-(oxetan-3-yl)-[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;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159155743
1H-benzimidazole;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;1H-imidazole;isoquinoline;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 159230519
tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 160668527
N-[2-(4-imidazol-1-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332366
2-[4-[4-[5-[3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-4-yl]phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 143665880
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
8-butyl-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-methyl-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]isoquinolin-1-one;8-(2-methoxy-1,3-thiazol-5-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-pyridin-2-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
CID 157080238
N-[[4-amino-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcyclopropanecarboxamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylpropanamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,3-thiazole-2-carboxamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-methylpropanamide
CID 157204867
N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide);N-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-methylbenzamide;1-[3-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]cyclohexyl]propan-1-one;4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-methylbenzamide
CID 157305620
N-(4-amino-1-phenylpyrazol-3-yl)-3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methylphenyl)ethanone;1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]phenyl]propan-1-one;1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methylphenyl)ethanone;1-[3-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
CID 157333794

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide (CID 161133670) is 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide is C.C.C.C.C.C.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2nnc3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc3ccccc3n2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cccn2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ccnc2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccccc3C2)n1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UMNCLWAUSPEEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS.C21H22N6OS.2C20H19N7OS.2C16H17N7OS.6CH4/c28-20(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;28-20(24-17-11-23-6-5-19(17)26-9-7-22-8-10-26)18-14-29-21(25-18)27-12-15-3-1-2-4-16(15)13-27;28-19(22-14-5-1-3-7-17(14)26-11-9-21-10-12-26)16-13-29-20(23-16)27-18-8-4-2-6-15(18)24-25-27;28-19(23-16-11-22-6-5-18(16)26-9-7-21-8-10-26)17-13-29-20(24-17)27-12-14-3-1-2-4-15(14)25-27;24-15(13-11-25-16(21-13)23-7-1-3-19-23)20-12-10-18-4-2-14(12)22-8-5-17-6-9-22;24-15(13-10-25-16(21-13)23-8-5-19-11-23)20-12-9-18-2-1-14(12)22-6-3-17-4-7-22;;;;;;/h1-8,13-14,22H,9-12H2,(H,24,28);1-6,11,14,22H,7-10,12-13H2,(H,24,28);1-8,13,21H,9-12H2,(H,22,28);1-6,11-13,21H,7-10H2,(H,23,28);1-4,7,10-11,17H,5-6,8-9H2,(H,20,24);1-2,5,8-11,17H,3-4,6-7H2,(H,20,24);6*1H4.
What are the key properties of 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide?
2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 2429.10 g/mol, XLogP of 17.53, 24 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 161133670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).