2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane

C115H132Br2N36O5S5 — CID 160589405

IUPAC2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane
SMILESC.C.C.C.C.CC(C)(C)n1nc(-c2ccccc2)cc1Nc1nc(C(=O)Nc2ccccc2N2CCNCC2)cs1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3cc(Br)ccc23)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccc(Br)cc23)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccccc23)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C27H31N7OS.2C21H20BrN7OS.C21H21N7OS.C20H20N8OS.5CH4/c1-27(2,3)34-24(17-21(32-34)19-9-5-4-6-10-19)31-26-30-22(18-36-26)25(35)29-20-11-7-8-12-23(20)33-15-13-28-14-16-33;22-13-5-6-15-14(11-13)19(28-27-15)26-21-25-17(12-31-21)20(30)24-16-3-1-2-4-18(16)29-9-7-23-8-10-29;22-13-5-6-14-16(11-13)27-28-19(14)26-21-25-17(12-31-21)20(30)24-15-3-1-2-4-18(15)29-9-7-23-8-10-29;29-20(23-16-7-3-4-8-18(16)28-11-9-22-10-12-28)17-13-30-21(24-17)25-19-14-5-1-2-6-15(14)26-27-19;29-19(23-15-11-22-6-5-17(15)28-9-7-21-8-10-28)16-12-30-20(24-16)25-18-13-3-1-2-4-14(13)26-27-18;;;;;/h4-12,17-18,28H,13-16H2,1-3H3,(H,29,35)(H,30,31);2*1-6,11-12,23H,7-10H2,(H,24,30)(H2,25,26,27,28);1-8,13,22H,9-12H2,(H,23,29)(H2,24,25,26,27);1-6,11-12,21H,7-10H2,(H,23,29)(H2,24,25,26,27);5*1H4
InChIKeyRCURSMMMJUQVLE-UHFFFAOYSA-N
MW2418.71 g/mol
LogP22.97
Rot. Bonds26

About 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane

2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane (PubChem CID 160589405) has the molecular formula C115H132Br2N36O5S5 and a molecular weight of 2418.71 g/mol. Its IUPAC name is 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane.

Molecular Properties

Compound Name2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane
PubChem CID160589405
Molecular FormulaC115H132Br2N36O5S5
Molecular Weight2418.71 g/mol
Exact Mass2414.82
IUPAC Name2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane
SMILESC.C.C.C.C.CC(C)(C)n1nc(-c2ccccc2)cc1Nc1nc(C(=O)Nc2ccccc2N2CCNCC2)cs1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3cc(Br)ccc23)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccc(Br)cc23)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccccc23)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccccc23)n1
InChIInChI=1S/C27H31N7OS.2C21H20BrN7OS.C21H21N7OS.C20H20N8OS.5CH4/c1-27(2,3)34-24(17-21(32-34)19-9-5-4-6-10-19)31-26-30-22(18-36-26)25(35)29-20-11-7-8-12-23(20)33-15-13-28-14-16-33;22-13-5-6-15-14(11-13)19(28-27-15)26-21-25-17(12-31-21)20(30)24-16-3-1-2-4-18(16)29-9-7-23-8-10-29;22-13-5-6-14-16(11-13)27-28-19(14)26-21-25-17(12-31-21)20(30)24-15-3-1-2-4-18(15)29-9-7-23-8-10-29;29-20(23-16-7-3-4-8-18(16)28-11-9-22-10-12-28)17-13-30-21(24-17)25-19-14-5-1-2-6-15(14)26-27-19;29-19(23-15-11-22-6-5-17(15)28-9-7-21-8-10-28)16-12-30-20(24-16)25-18-13-3-1-2-4-14(13)26-27-18;;;;;/h4-12,17-18,28H,13-16H2,1-3H3,(H,29,35)(H,30,31);2*1-6,11-12,23H,7-10H2,(H,24,30)(H2,25,26,27,28);1-8,13,22H,9-12H2,(H,23,29)(H2,24,25,26,27);1-6,11-12,21H,7-10H2,(H,23,29)(H2,24,25,26,27);5*1H4
InChIKeyRCURSMMMJUQVLE-UHFFFAOYSA-N
XLogP22.97
TPSA491.88 Ų
H-Bond Donors19
H-Bond Acceptors37
Rotatable Bonds26
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002418.71
LogP ≤ 522.97
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1037

Analyze 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane with MolForge

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Launch Full Analysis

Related Compounds

2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-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-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-2-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 160324148
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;N-(4-piperazin-1-yl-3-pyridinyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 160639320
tert-butyl 1-[2-[[2-(3-aminoindazol-1-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]-3,5-dihydro-2H-pyrazin-1-ium-4-carboxylate;tert-butyl 4-[2-[(2-bromo-1,3-thiazole-4-carbonyl)amino]phenyl]piperazine-1-carboxylate;tert-butyl 4-[2-[[2-(1H-indazol-3-ylamino)-1,3-thiazole-4-carbonyl]amino]phenyl]piperazine-1-carboxylate;1H-indazol-3-amine;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 160847897
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
2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane
CID 161260891

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane?
The IUPAC name of 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane (CID 160589405) is 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane.
What is the SMILES notation for 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane?
The canonical SMILES for 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane is C.C.C.C.C.CC(C)(C)n1nc(-c2ccccc2)cc1Nc1nc(C(=O)Nc2ccccc2N2CCNCC2)cs1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3cc(Br)ccc23)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccc(Br)cc23)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccccc23)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccccc23)n1.
What is the InChIKey of 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane?
The InChIKey is RCURSMMMJUQVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7OS.2C21H20BrN7OS.C21H21N7OS.C20H20N8OS.5CH4/c1-27(2,3)34-24(17-21(32-34)19-9-5-4-6-10-19)31-26-30-22(18-36-26)25(35)29-20-11-7-8-12-23(20)33-15-13-28-14-16-33;22-13-5-6-15-14(11-13)19(28-27-15)26-21-25-17(12-31-21)20(30)24-16-3-1-2-4-18(16)29-9-7-23-8-10-29;22-13-5-6-14-16(11-13)27-28-19(14)26-21-25-17(12-31-21)20(30)24-15-3-1-2-4-18(15)29-9-7-23-8-10-29;29-20(23-16-7-3-4-8-18(16)28-11-9-22-10-12-28)17-13-30-21(24-17)25-19-14-5-1-2-6-15(14)26-27-19;29-19(23-15-11-22-6-5-17(15)28-9-7-21-8-10-28)16-12-30-20(24-16)25-18-13-3-1-2-4-14(13)26-27-18;;;;;/h4-12,17-18,28H,13-16H2,1-3H3,(H,29,35)(H,30,31);2*1-6,11-12,23H,7-10H2,(H,24,30)(H2,25,26,27,28);1-8,13,22H,9-12H2,(H,23,29)(H2,24,25,26,27);1-6,11-12,21H,7-10H2,(H,23,29)(H2,24,25,26,27);5*1H4.
What are the key properties of 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane?
2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane has a molecular weight of 2418.71 g/mol, XLogP of 22.97, 26 rotatable bonds, 19 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(6-bromo-1H-indazol-3-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[(1-tert-butyl-3-phenylpyrazol-5-yl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane is sourced from PubChem (CID 160589405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).