2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C170H201Cl7N56O14S8 — CID 157485538

IUPAC2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESC/C=C(/C)c1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=CCCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccc3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3=CCCS3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CCCC3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(CCO)CC3)n2)s1
InChIInChI=1S/C26H27ClN8O2S.C25H31ClN8O2S.C24H27ClN8O2S2.C24H31ClN8O2S.2C24H29ClN8O2S.C23H27ClN8O2S/c1-17-6-5-9-19(27)21(17)29-23(37)20-16-28-26(38-20)33-24-30-22(18-7-3-2-4-8-18)31-25(32-24)35-12-10-34(11-13-35)14-15-36;1-16-5-4-8-18(26)20(16)28-22(36)19-15-27-25(37-19)32-23-29-21(17-6-2-3-7-17)30-24(31-23)34-11-9-33(10-12-34)13-14-35;1-15-4-2-5-16(25)19(15)27-21(35)18-14-26-24(37-18)31-22-28-20(17-6-3-13-36-17)29-23(30-22)33-9-7-32(8-10-33)11-12-34;1-15(2)13-19-27-22(30-23(28-19)33-9-7-32(8-10-33)11-12-34)31-24-26-14-18(36-24)21(35)29-20-16(3)5-4-6-17(20)25;1-4-15(2)20-28-22(30-23(29-20)33-10-8-32(9-11-33)12-13-34)31-24-26-14-18(36-24)21(35)27-19-16(3)6-5-7-17(19)25;1-3-4-8-19-27-22(30-23(28-19)33-11-9-32(10-12-33)13-14-34)31-24-26-15-18(36-24)21(35)29-20-16(2)6-5-7-17(20)25;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/h2-9,16,36H,10-15H2,1H3,(H,29,37)(H,28,30,31,32,33);4-5,8,15,17,35H,2-3,6-7,9-14H2,1H3,(H,28,36)(H,27,29,30,31,32);2,4-6,14,34H,3,7-13H2,1H3,(H,27,35)(H,26,28,29,30,31);4-6,14-15,34H,7-13H2,1-3H3,(H,29,35)(H,26,27,28,30,31);4-7,14,34H,8-13H2,1-3H3,(H,27,35)(H,26,28,29,30,31);3,5-7,15,34H,1,4,8-14H2,2H3,(H,29,35)(H,26,27,28,30,31);3-4,6-7,14,33H,1,5,8-13H2,2H3,(H,28,34)(H,25,26,27,29,30)/b;;;;15-4-;;
InChIKeyBWRAZZLWKYMARN-HEICEPEYSA-N
MW3757.56 g/mol
LogP26.07
Rot. Bonds60

About 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 157485538) has the molecular formula C170H201Cl7N56O14S8 and a molecular weight of 3757.56 g/mol. Its IUPAC name is 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID157485538
Molecular FormulaC170H201Cl7N56O14S8
Molecular Weight3757.56 g/mol
Exact Mass3751.23
IUPAC Name2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESC/C=C(/C)c1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=CCCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccc3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3=CCCS3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CCCC3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(CCO)CC3)n2)s1
InChIInChI=1S/C26H27ClN8O2S.C25H31ClN8O2S.C24H27ClN8O2S2.C24H31ClN8O2S.2C24H29ClN8O2S.C23H27ClN8O2S/c1-17-6-5-9-19(27)21(17)29-23(37)20-16-28-26(38-20)33-24-30-22(18-7-3-2-4-8-18)31-25(32-24)35-12-10-34(11-13-35)14-15-36;1-16-5-4-8-18(26)20(16)28-22(36)19-15-27-25(37-19)32-23-29-21(17-6-2-3-7-17)30-24(31-23)34-11-9-33(10-12-34)13-14-35;1-15-4-2-5-16(25)19(15)27-21(35)18-14-26-24(37-18)31-22-28-20(17-6-3-13-36-17)29-23(30-22)33-9-7-32(8-10-33)11-12-34;1-15(2)13-19-27-22(30-23(28-19)33-9-7-32(8-10-33)11-12-34)31-24-26-14-18(36-24)21(35)29-20-16(3)5-4-6-17(20)25;1-4-15(2)20-28-22(30-23(29-20)33-10-8-32(9-11-33)12-13-34)31-24-26-14-18(36-24)21(35)27-19-16(3)6-5-7-17(19)25;1-3-4-8-19-27-22(30-23(28-19)33-11-9-32(10-12-33)13-14-34)31-24-26-15-18(36-24)21(35)29-20-16(2)6-5-7-17(20)25;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/h2-9,16,36H,10-15H2,1H3,(H,29,37)(H,28,30,31,32,33);4-5,8,15,17,35H,2-3,6-7,9-14H2,1H3,(H,28,36)(H,27,29,30,31,32);2,4-6,14,34H,3,7-13H2,1H3,(H,27,35)(H,26,28,29,30,31);4-6,14-15,34H,7-13H2,1-3H3,(H,29,35)(H,26,27,28,30,31);4-7,14,34H,8-13H2,1-3H3,(H,27,35)(H,26,28,29,30,31);3,5-7,15,34H,1,4,8-14H2,2H3,(H,29,35)(H,26,27,28,30,31);3-4,6-7,14,33H,1,5,8-13H2,2H3,(H,28,34)(H,25,26,27,29,30)/b;;;;15-4-;;
InChIKeyBWRAZZLWKYMARN-HEICEPEYSA-N
XLogP26.07
TPSA835.80 Ų
H-Bond Donors21
H-Bond Acceptors71
Rotatable Bonds60
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003757.56
LogP ≤ 526.07
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1071

Computed Properties (RDKit)

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

Analyze 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-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-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 157485538) is 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is C/C=C(/C)c1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=CCCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.C=CCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccccc3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3=CCCS3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(C3CCCC3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(CC(C)C)nc(N3CCN(CCO)CC3)n2)s1.
What is the InChIKey of 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is BWRAZZLWKYMARN-HEICEPEYSA-N. The full InChI is InChI=1S/C26H27ClN8O2S.C25H31ClN8O2S.C24H27ClN8O2S2.C24H31ClN8O2S.2C24H29ClN8O2S.C23H27ClN8O2S/c1-17-6-5-9-19(27)21(17)29-23(37)20-16-28-26(38-20)33-24-30-22(18-7-3-2-4-8-18)31-25(32-24)35-12-10-34(11-13-35)14-15-36;1-16-5-4-8-18(26)20(16)28-22(36)19-15-27-25(37-19)32-23-29-21(17-6-2-3-7-17)30-24(31-23)34-11-9-33(10-12-34)13-14-35;1-15-4-2-5-16(25)19(15)27-21(35)18-14-26-24(37-18)31-22-28-20(17-6-3-13-36-17)29-23(30-22)33-9-7-32(8-10-33)11-12-34;1-15(2)13-19-27-22(30-23(28-19)33-9-7-32(8-10-33)11-12-34)31-24-26-14-18(36-24)21(35)29-20-16(3)5-4-6-17(20)25;1-4-15(2)20-28-22(30-23(29-20)33-10-8-32(9-11-33)12-13-34)31-24-26-14-18(36-24)21(35)27-19-16(3)6-5-7-17(19)25;1-3-4-8-19-27-22(30-23(28-19)33-11-9-32(10-12-33)13-14-34)31-24-26-15-18(36-24)21(35)29-20-16(2)6-5-7-17(20)25;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/h2-9,16,36H,10-15H2,1H3,(H,29,37)(H,28,30,31,32,33);4-5,8,15,17,35H,2-3,6-7,9-14H2,1H3,(H,28,36)(H,27,29,30,31,32);2,4-6,14,34H,3,7-13H2,1H3,(H,27,35)(H,26,28,29,30,31);4-6,14-15,34H,7-13H2,1-3H3,(H,29,35)(H,26,27,28,30,31);4-7,14,34H,8-13H2,1-3H3,(H,27,35)(H,26,28,29,30,31);3,5-7,15,34H,1,4,8-14H2,2H3,(H,29,35)(H,26,27,28,30,31);3-4,6-7,14,33H,1,5,8-13H2,2H3,(H,28,34)(H,25,26,27,29,30)/b;;;;15-4-;;.
What are the key properties of 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 3757.56 g/mol, XLogP of 26.07, 60 rotatable bonds, 21 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(Z)-but-2-en-2-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[4-but-3-enyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-cyclopentyl-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-(2,3-dihydrothiophen-5-yl)-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-(2-methylpropyl)-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-phenyl-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-2-enyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157485538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).