2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

C106H121ClF2N40O2S4 — CID 159172158

IUPAC2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1cnc(Nc2nc(SCc3ccccc3)nc(N3CCN(C)CC3)n2)s1.CN1CCN(c2nc(NCc3ccc(F)cc3)nc(Nc3cc(-c4ccco4)[nH]n3)n2)CC1.CN1CCN(c2nc(NCc3ccccc3)nc(Nc3nc4ccccc4o3)n2)CC1.CN1CCN(c2nc(NCc3ccccc3)nc(Nc3nc4ccccc4s3)n2)CC1.Cc1cnc(Nc2nc(NCc3ccc(F)c(Cl)c3)nc(N3CCN(C)CC3)n2)s1
InChIInChI=1S/C22H24FN9O.C22H24N8O.C22H24N8S.C21H27N7S2.C19H22ClFN8S/c1-31-8-10-32(11-9-31)22-27-20(24-14-15-4-6-16(23)7-5-15)26-21(28-22)25-19-13-17(29-30-19)18-3-2-12-33-18;2*1-29-11-13-30(14-12-29)21-26-19(23-15-16-7-3-2-4-8-16)25-20(27-21)28-22-24-17-9-5-6-10-18(17)31-22;1-15(2)17-13-22-20(30-17)24-18-23-19(28-11-9-27(3)10-12-28)26-21(25-18)29-14-16-7-5-4-6-8-16;1-12-10-23-19(30-12)27-17-24-16(22-11-13-3-4-15(21)14(20)9-13)25-18(26-17)29-7-5-28(2)6-8-29/h2-7,12-13H,8-11,14H2,1H3,(H3,24,25,26,27,28,29,30);2*2-10H,11-15H2,1H3,(H2,23,24,25,26,27,28);4-8,13,15H,9-12,14H2,1-3H3,(H,22,23,24,25,26);3-4,9-10H,5-8,11H2,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyKLVCUPRECSLDNQ-UHFFFAOYSA-N
MW2189.13 g/mol
LogP17.59
Rot. Bonds32

About 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 159172158) has the molecular formula C106H121ClF2N40O2S4 and a molecular weight of 2189.13 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID159172158
Molecular FormulaC106H121ClF2N40O2S4
Molecular Weight2189.13 g/mol
Exact Mass2186.91
IUPAC Name2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1cnc(Nc2nc(SCc3ccccc3)nc(N3CCN(C)CC3)n2)s1.CN1CCN(c2nc(NCc3ccc(F)cc3)nc(Nc3cc(-c4ccco4)[nH]n3)n2)CC1.CN1CCN(c2nc(NCc3ccccc3)nc(Nc3nc4ccccc4o3)n2)CC1.CN1CCN(c2nc(NCc3ccccc3)nc(Nc3nc4ccccc4s3)n2)CC1.Cc1cnc(Nc2nc(NCc3ccc(F)c(Cl)c3)nc(N3CCN(C)CC3)n2)s1
InChIInChI=1S/C22H24FN9O.C22H24N8O.C22H24N8S.C21H27N7S2.C19H22ClFN8S/c1-31-8-10-32(11-9-31)22-27-20(24-14-15-4-6-16(23)7-5-15)26-21(28-22)25-19-13-17(29-30-19)18-3-2-12-33-18;2*1-29-11-13-30(14-12-29)21-26-19(23-15-16-7-3-2-4-8-16)25-20(27-21)28-22-24-17-9-5-6-10-18(17)31-22;1-15(2)17-13-22-20(30-17)24-18-23-19(28-11-9-27(3)10-12-28)26-21(25-18)29-14-16-7-5-4-6-8-16;1-12-10-23-19(30-12)27-17-24-16(22-11-13-3-4-15(21)14(20)9-13)25-18(26-17)29-7-5-28(2)6-8-29/h2-7,12-13H,8-11,14H2,1H3,(H3,24,25,26,27,28,29,30);2*2-10H,11-15H2,1H3,(H2,23,24,25,26,27,28);4-8,13,15H,9-12,14H2,1-3H3,(H,22,23,24,25,26);3-4,9-10H,5-8,11H2,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyKLVCUPRECSLDNQ-UHFFFAOYSA-N
XLogP17.59
TPSA440.54 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds32
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002189.13
LogP ≤ 517.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Analyze 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);1-methylpyrrolo[2,3-c]pyridine;1-propylpyrazole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158201797
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
1-benzofuran;3-chloro-5-methylpyridine;3-chloropyridine;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrazin-2-amine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;3-fluoro-2-methylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;4-pyridin-2-ylmorpholine;4-pyridin-3-ylmorpholine;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;5-(trifluoromethyl)-1H-pyrazole;4-(trifluoromethyl)pyridine
CID 161651704
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
CID 157623262
CID 157623262
N-(2-chlorophenyl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thiophene-2-carboxamide
CID 157648517
3-[4-(1-benzothiophen-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-6-chloro-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-chloro-5-fluoro-3-[4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;6-chloro-5-fluoro-3-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-thiophen-2-ylpyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;N-[3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(furan-2-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 157811697
N-[6-[4-amino-1-[(8-methyl-1-propan-2-yloxyisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;5-[4-amino-1-[(8-methyl-1-propan-2-yloxyisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine;1-[(8-methyl-1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158363007
3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 158492733
6-(1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-methylphenyl)-1H-1,8-naphthyridin-2-one;6-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-2-one;6-(1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
CID 159642818
3-[4-(1-benzothiophen-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-6-chloro-2H-pyrazolo[3,4-b]pyridine;6-chloro-3-[4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)thieno[2,3-d]pyrimidin-4-amine;3-[4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 160302732
2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-[(4-fluorophenyl)methoxy]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 160394029

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (CID 159172158) is 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is CC(C)c1cnc(Nc2nc(SCc3ccccc3)nc(N3CCN(C)CC3)n2)s1.CN1CCN(c2nc(NCc3ccc(F)cc3)nc(Nc3cc(-c4ccco4)[nH]n3)n2)CC1.CN1CCN(c2nc(NCc3ccccc3)nc(Nc3nc4ccccc4o3)n2)CC1.CN1CCN(c2nc(NCc3ccccc3)nc(Nc3nc4ccccc4s3)n2)CC1.Cc1cnc(Nc2nc(NCc3ccc(F)c(Cl)c3)nc(N3CCN(C)CC3)n2)s1.
What is the InChIKey of 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KLVCUPRECSLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN9O.C22H24N8O.C22H24N8S.C21H27N7S2.C19H22ClFN8S/c1-31-8-10-32(11-9-31)22-27-20(24-14-15-4-6-16(23)7-5-15)26-21(28-22)25-19-13-17(29-30-19)18-3-2-12-33-18;2*1-29-11-13-30(14-12-29)21-26-19(23-15-16-7-3-2-4-8-16)25-20(27-21)28-22-24-17-9-5-6-10-18(17)31-22;1-15(2)17-13-22-20(30-17)24-18-23-19(28-11-9-27(3)10-12-28)26-21(25-18)29-14-16-7-5-4-6-8-16;1-12-10-23-19(30-12)27-17-24-16(22-11-13-3-4-15(21)14(20)9-13)25-18(26-17)29-7-5-28(2)6-8-29/h2-7,12-13H,8-11,14H2,1H3,(H3,24,25,26,27,28,29,30);2*2-10H,11-15H2,1H3,(H2,23,24,25,26,27,28);4-8,13,15H,9-12,14H2,1-3H3,(H,22,23,24,25,26);3-4,9-10H,5-8,11H2,1-2H3,(H2,22,23,24,25,26,27).
What are the key properties of 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2189.13 g/mol, XLogP of 17.59, 32 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzoxazol-2-yl)-4-N-benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-benzylsulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-propan-2-yl-1,3-thiazol-2-amine;4-N-[(3-chloro-4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159172158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).