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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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

C156H164Cl6F2N48O12S7 — CID 158651164

IUPACN-(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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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
SMILESCc1ccc(-c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(N3CCN(CCO)CC3)n2)cc1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccc(F)cc3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccc(F)c3)nc(N3CCN(CCO)CC3)n2)s1.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.Cc1ccccc1-c1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/2C27H29ClN8O2S.2C26H26ClFN8O2S.C26H27ClN8O2S.C24H27ClN8O2S2/c1-17-6-3-4-8-19(17)23-31-25(33-26(32-23)36-12-10-35(11-13-36)14-15-37)34-27-29-16-21(39-27)24(38)30-22-18(2)7-5-9-20(22)28;1-17-6-8-19(9-7-17)23-31-25(33-26(32-23)36-12-10-35(11-13-36)14-15-37)34-27-29-16-21(39-27)24(38)30-22-18(2)4-3-5-20(22)28;1-16-4-2-7-19(27)21(16)30-23(38)20-15-29-26(39-20)34-24-31-22(17-5-3-6-18(28)14-17)32-25(33-24)36-10-8-35(9-11-36)12-13-37;1-16-3-2-4-19(27)21(16)30-23(38)20-15-29-26(39-20)34-24-31-22(17-5-7-18(28)8-6-17)32-25(33-24)36-11-9-35(10-12-36)13-14-37;1-17-6-5-9-19(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;1-15-4-2-5-16(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/h2*3-9,16,37H,10-15H2,1-2H3,(H,30,38)(H,29,31,32,33,34);2-7,14-15,37H,8-13H2,1H3,(H,30,38)(H,29,31,32,33,34);2-8,15,37H,9-14H2,1H3,(H,30,38)(H,29,31,32,33,34);2-9,16,36H,10-15H2,1H3,(H,29,37)(H,28,30,31,32,33);2,4-6,14,34H,3,7-13H2,1H3,(H,27,35)(H,26,28,29,30,31)
InChIKeyIBOODVZIFFAVKG-UHFFFAOYSA-N
MW3378.53 g/mol
LogP25.11
Rot. Bonds48

About 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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-(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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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 (PubChem CID 158651164) has the molecular formula C156H164Cl6F2N48O12S7 and a molecular weight of 3378.53 g/mol. Its IUPAC name is 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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.

Molecular Properties

Compound NameN-(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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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
PubChem CID158651164
Molecular FormulaC156H164Cl6F2N48O12S7
Molecular Weight3378.53 g/mol
Exact Mass3372.98
IUPAC NameN-(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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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
SMILESCc1ccc(-c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(N3CCN(CCO)CC3)n2)cc1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccc(F)cc3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccc(F)c3)nc(N3CCN(CCO)CC3)n2)s1.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.Cc1ccccc1-c1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/2C27H29ClN8O2S.2C26H26ClFN8O2S.C26H27ClN8O2S.C24H27ClN8O2S2/c1-17-6-3-4-8-19(17)23-31-25(33-26(32-23)36-12-10-35(11-13-36)14-15-37)34-27-29-16-21(39-27)24(38)30-22-18(2)7-5-9-20(22)28;1-17-6-8-19(9-7-17)23-31-25(33-26(32-23)36-12-10-35(11-13-36)14-15-37)34-27-29-16-21(39-27)24(38)30-22-18(2)4-3-5-20(22)28;1-16-4-2-7-19(27)21(16)30-23(38)20-15-29-26(39-20)34-24-31-22(17-5-3-6-18(28)14-17)32-25(33-24)36-10-8-35(9-11-36)12-13-37;1-16-3-2-4-19(27)21(16)30-23(38)20-15-29-26(39-20)34-24-31-22(17-5-7-18(28)8-6-17)32-25(33-24)36-11-9-35(10-12-36)13-14-37;1-17-6-5-9-19(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;1-15-4-2-5-16(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/h2*3-9,16,37H,10-15H2,1-2H3,(H,30,38)(H,29,31,32,33,34);2-7,14-15,37H,8-13H2,1H3,(H,30,38)(H,29,31,32,33,34);2-8,15,37H,9-14H2,1H3,(H,30,38)(H,29,31,32,33,34);2-9,16,36H,10-15H2,1H3,(H,29,37)(H,28,30,31,32,33);2,4-6,14,34H,3,7-13H2,1H3,(H,27,35)(H,26,28,29,30,31)
InChIKeyIBOODVZIFFAVKG-UHFFFAOYSA-N
XLogP25.11
TPSA716.40 Ų
H-Bond Donors18
H-Bond Acceptors61
Rotatable Bonds48
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003378.53
LogP ≤ 525.11
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1061

Analyze 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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?
The IUPAC name of 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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 (CID 158651164) is 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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.
What is the SMILES notation for 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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?
The canonical SMILES for 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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 is Cc1ccc(-c2nc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(N3CCN(CCO)CC3)n2)cc1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3ccc(F)cc3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccc(F)c3)nc(N3CCN(CCO)CC3)n2)s1.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.Cc1ccccc1-c1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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?
The InChIKey is IBOODVZIFFAVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H29ClN8O2S.2C26H26ClFN8O2S.C26H27ClN8O2S.C24H27ClN8O2S2/c1-17-6-3-4-8-19(17)23-31-25(33-26(32-23)36-12-10-35(11-13-36)14-15-37)34-27-29-16-21(39-27)24(38)30-22-18(2)7-5-9-20(22)28;1-17-6-8-19(9-7-17)23-31-25(33-26(32-23)36-12-10-35(11-13-36)14-15-37)34-27-29-16-21(39-27)24(38)30-22-18(2)4-3-5-20(22)28;1-16-4-2-7-19(27)21(16)30-23(38)20-15-29-26(39-20)34-24-31-22(17-5-3-6-18(28)14-17)32-25(33-24)36-10-8-35(9-11-36)12-13-37;1-16-3-2-4-19(27)21(16)30-23(38)20-15-29-26(39-20)34-24-31-22(17-5-7-18(28)8-6-17)32-25(33-24)36-11-9-35(10-12-36)13-14-37;1-17-6-5-9-19(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;1-15-4-2-5-16(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/h2*3-9,16,37H,10-15H2,1-2H3,(H,30,38)(H,29,31,32,33,34);2-7,14-15,37H,8-13H2,1H3,(H,30,38)(H,29,31,32,33,34);2-8,15,37H,9-14H2,1H3,(H,30,38)(H,29,31,32,33,34);2-9,16,36H,10-15H2,1H3,(H,29,37)(H,28,30,31,32,33);2,4-6,14,34H,3,7-13H2,1H3,(H,27,35)(H,26,28,29,30,31).
What are the key properties of 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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-(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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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 has a molecular weight of 3378.53 g/mol, XLogP of 25.11, 48 rotatable bonds, 18 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3-fluorophenyl)-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-fluorophenyl)-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-methylphenyl)-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-(4-methylphenyl)-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 is sourced from PubChem (CID 158651164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).