2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C149H170Cl7N55O13S7 — CID 157384618

IUPAC2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESC#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.CC#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(CCO)CC3)n2)s1.Cc1nc(Nc2nc3ccc(Cl)cc3s2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3ccccc3Cl)s2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C23H27ClN8O2S.C23H25ClN8O2S.C22H27ClN8O2S.C22H25ClN8O2S.C22H23ClN8O2S.C20H23ClN8O2S.C17H20ClN7OS/c1-14-3-2-4-16(24)18(14)26-20(34)17-13-25-23(35-17)30-21-27-19(15-5-6-15)28-22(29-21)32-9-7-31(8-10-32)11-12-33;1-3-5-18-26-21(29-22(27-18)32-10-8-31(9-11-32)12-13-33)30-23-25-14-17(35-23)20(34)28-19-15(2)6-4-7-16(19)24;3*1-3-17-25-20(28-21(26-17)31-9-7-30(8-10-31)11-12-32)29-22-24-13-16(34-22)19(33)27-18-14(2)5-4-6-15(18)23;1-13-23-18(26-19(24-13)29-8-6-28(7-9-29)10-11-30)27-20-22-12-16(32-20)17(31)25-15-5-3-2-4-14(15)21;1-11-19-15(23-17-21-13-3-2-12(18)10-14(13)27-17)22-16(20-11)25-6-4-24(5-7-25)8-9-26/h2-4,13,15,33H,5-12H2,1H3,(H,26,34)(H,25,27,28,29,30);4,6-7,14,33H,8-13H2,1-2H3,(H,28,34)(H,25,26,27,29,30);4-6,13,32H,3,7-12H2,1-2H3,(H,27,33)(H,24,25,26,28,29);3-6,13,32H,1,7-12H2,2H3,(H,27,33)(H,24,25,26,28,29);1,4-6,13,32H,7-12H2,2H3,(H,27,33)(H,24,25,26,28,29);2-5,12,30H,6-11H2,1H3,(H,25,31)(H,22,23,24,26,27);2-3,10,26H,4-9H2,1H3,(H,19,20,21,22,23)
InChIKeyBLHAPUKHOLEVDQ-UHFFFAOYSA-N
MW3412.01 g/mol
LogP19.14
Rot. Bonds50

About 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 157384618) has the molecular formula C149H170Cl7N55O13S7 and a molecular weight of 3412.01 g/mol. Its IUPAC name is 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID157384618
Molecular FormulaC149H170Cl7N55O13S7
Molecular Weight3412.01 g/mol
Exact Mass3406.02
IUPAC Name2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESC#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.CC#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(CCO)CC3)n2)s1.Cc1nc(Nc2nc3ccc(Cl)cc3s2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3ccccc3Cl)s2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C23H27ClN8O2S.C23H25ClN8O2S.C22H27ClN8O2S.C22H25ClN8O2S.C22H23ClN8O2S.C20H23ClN8O2S.C17H20ClN7OS/c1-14-3-2-4-16(24)18(14)26-20(34)17-13-25-23(35-17)30-21-27-19(15-5-6-15)28-22(29-21)32-9-7-31(8-10-32)11-12-33;1-3-5-18-26-21(29-22(27-18)32-10-8-31(9-11-32)12-13-33)30-23-25-14-17(35-23)20(34)28-19-15(2)6-4-7-16(19)24;3*1-3-17-25-20(28-21(26-17)31-9-7-30(8-10-31)11-12-32)29-22-24-13-16(34-22)19(33)27-18-14(2)5-4-6-15(18)23;1-13-23-18(26-19(24-13)29-8-6-28(7-9-29)10-11-30)27-20-22-12-16(32-20)17(31)25-15-5-3-2-4-14(15)21;1-11-19-15(23-17-21-13-3-2-12(18)10-14(13)27-17)22-16(20-11)25-6-4-24(5-7-25)8-9-26/h2-4,13,15,33H,5-12H2,1H3,(H,26,34)(H,25,27,28,29,30);4,6-7,14,33H,8-13H2,1-2H3,(H,28,34)(H,25,26,27,29,30);4-6,13,32H,3,7-12H2,1-2H3,(H,27,33)(H,24,25,26,28,29);3-6,13,32H,1,7-12H2,2H3,(H,27,33)(H,24,25,26,28,29);1,4-6,13,32H,7-12H2,2H3,(H,27,33)(H,24,25,26,28,29);2-5,12,30H,6-11H2,1H3,(H,25,31)(H,22,23,24,26,27);2-3,10,26H,4-9H2,1H3,(H,19,20,21,22,23)
InChIKeyBLHAPUKHOLEVDQ-UHFFFAOYSA-N
XLogP19.14
TPSA806.70 Ų
H-Bond Donors20
H-Bond Acceptors69
Rotatable Bonds50
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003412.01
LogP ≤ 519.14
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1069

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 157384618) is 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is C#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.CC#Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CC3)nc(N3CCN(CCO)CC3)n2)s1.Cc1nc(Nc2nc3ccc(Cl)cc3s2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3ccccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is BLHAPUKHOLEVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN8O2S.C23H25ClN8O2S.C22H27ClN8O2S.C22H25ClN8O2S.C22H23ClN8O2S.C20H23ClN8O2S.C17H20ClN7OS/c1-14-3-2-4-16(24)18(14)26-20(34)17-13-25-23(35-17)30-21-27-19(15-5-6-15)28-22(29-21)32-9-7-31(8-10-32)11-12-33;1-3-5-18-26-21(29-22(27-18)32-10-8-31(9-11-32)12-13-33)30-23-25-14-17(35-23)20(34)28-19-15(2)6-4-7-16(19)24;3*1-3-17-25-20(28-21(26-17)31-9-7-30(8-10-31)11-12-32)29-22-24-13-16(34-22)19(33)27-18-14(2)5-4-6-15(18)23;1-13-23-18(26-19(24-13)29-8-6-28(7-9-29)10-11-30)27-20-22-12-16(32-20)17(31)25-15-5-3-2-4-14(15)21;1-11-19-15(23-17-21-13-3-2-12(18)10-14(13)27-17)22-16(20-11)25-6-4-24(5-7-25)8-9-26/h2-4,13,15,33H,5-12H2,1H3,(H,26,34)(H,25,27,28,29,30);4,6-7,14,33H,8-13H2,1-2H3,(H,28,34)(H,25,26,27,29,30);4-6,13,32H,3,7-12H2,1-2H3,(H,27,33)(H,24,25,26,28,29);3-6,13,32H,1,7-12H2,2H3,(H,27,33)(H,24,25,26,28,29);1,4-6,13,32H,7-12H2,2H3,(H,27,33)(H,24,25,26,28,29);2-5,12,30H,6-11H2,1H3,(H,25,31)(H,22,23,24,26,27);2-3,10,26H,4-9H2,1H3,(H,19,20,21,22,23).
What are the key properties of 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 3412.01 g/mol, XLogP of 19.14, 50 rotatable bonds, 20 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethenyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-ethynyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-prop-1-ynyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chlorophenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157384618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).