N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C151H164ClF3N50O7S6 — CID 157289150

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCN3CCOCC3)nc(-c3ccccc3)n2)s1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1
InChIInChI=1S/C27H29ClN8O2S.C27H27F3N8OS.C26H29N9OS.C26H28N8OS.C25H27N9OS.C20H24N8OS/c1-18-7-5-10-20(28)22(18)31-24(37)21-17-30-27(39-21)35-26-33-23(19-8-3-2-4-9-19)32-25(34-26)29-11-6-12-36-13-15-38-16-14-36;1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-5-4-6-18(2)22(17)31-23(36)21-15-28-26(37-21)33-24-29-19(3)30-25(32-24)35-13-11-34(12-14-35)16-20-7-9-27-10-8-20;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-16-7-6-8-17(2)21(16)30-22(35)19-15-27-25(36-19)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)20-9-4-5-10-26-20;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h2-5,7-10,17H,6,11-16H2,1H3,(H,31,37)(H2,29,30,32,33,34,35);4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-10,15H,11-14,16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27)
InChIKeyBAPBHQQIDXIASZ-UHFFFAOYSA-N
MW3076.16 g/mol
LogP25.85
Rot. Bonds40

About N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 157289150) has the molecular formula C151H164ClF3N50O7S6 and a molecular weight of 3076.16 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID157289150
Molecular FormulaC151H164ClF3N50O7S6
Molecular Weight3076.16 g/mol
Exact Mass3073.20
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCN3CCOCC3)nc(-c3ccccc3)n2)s1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1
InChIInChI=1S/C27H29ClN8O2S.C27H27F3N8OS.C26H29N9OS.C26H28N8OS.C25H27N9OS.C20H24N8OS/c1-18-7-5-10-20(28)22(18)31-24(37)21-17-30-27(39-21)35-26-33-23(19-8-3-2-4-9-19)32-25(34-26)29-11-6-12-36-13-15-38-16-14-36;1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-5-4-6-18(2)22(17)31-23(36)21-15-28-26(37-21)33-24-29-19(3)30-25(32-24)35-13-11-34(12-14-35)16-20-7-9-27-10-8-20;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-16-7-6-8-17(2)21(16)30-22(35)19-15-27-25(36-19)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)20-9-4-5-10-26-20;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h2-5,7-10,17H,6,11-16H2,1H3,(H,31,37)(H2,29,30,32,33,34,35);4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-10,15H,11-14,16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27)
InChIKeyBAPBHQQIDXIASZ-UHFFFAOYSA-N
XLogP25.85
TPSA647.61 Ų
H-Bond Donors14
H-Bond Acceptors57
Rotatable Bonds40
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003076.16
LogP ≤ 525.85
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-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-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 157289150) is N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-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-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(NCCCN3CCOCC3)nc(-c3ccccc3)n2)s1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(Cc3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCN(c3ccccn3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(N2CCNCC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is BAPBHQQIDXIASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN8O2S.C27H27F3N8OS.C26H29N9OS.C26H28N8OS.C25H27N9OS.C20H24N8OS/c1-18-7-5-10-20(28)22(18)31-24(37)21-17-30-27(39-21)35-26-33-23(19-8-3-2-4-9-19)32-25(34-26)29-11-6-12-36-13-15-38-16-14-36;1-16-6-4-7-17(2)22(16)34-23(39)21-15-31-26(40-21)36-24-32-18(3)33-25(35-24)38-12-10-37(11-13-38)20-9-5-8-19(14-20)27(28,29)30;1-17-5-4-6-18(2)22(17)31-23(36)21-15-28-26(37-21)33-24-29-19(3)30-25(32-24)35-13-11-34(12-14-35)16-20-7-9-27-10-8-20;1-17-8-7-9-18(2)22(17)30-23(35)21-16-27-26(36-21)32-24-28-19(3)29-25(31-24)34-14-12-33(13-15-34)20-10-5-4-6-11-20;1-16-7-6-8-17(2)21(16)30-22(35)19-15-27-25(36-19)32-23-28-18(3)29-24(31-23)34-13-11-33(12-14-34)20-9-4-5-10-26-20;1-12-5-4-6-13(2)16(12)25-17(29)15-11-22-20(30-15)27-18-23-14(3)24-19(26-18)28-9-7-21-8-10-28/h2-5,7-10,17H,6,11-16H2,1H3,(H,31,37)(H2,29,30,32,33,34,35);4-9,14-15H,10-13H2,1-3H3,(H,34,39)(H,31,32,33,35,36);4-10,15H,11-14,16H2,1-3H3,(H,31,36)(H,28,29,30,32,33);4-11,16H,12-15H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-10,15H,11-14H2,1-3H3,(H,30,35)(H,27,28,29,31,32);4-6,11,21H,7-10H2,1-3H3,(H,25,29)(H,22,23,24,26,27).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 3076.16 g/mol, XLogP of 25.85, 40 rotatable bonds, 14 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-(3-morpholin-4-ylpropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157289150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).