2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine

C234H248Cl2N56O9S10 — CID 159079687

IUPAC2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine
SMILESCC(C)(C)OC(=O)CC1CCN(C(=O)c2ccc(Cc3ncc(Cl)c(Cc4ccc5ncsc5c4)n3)cc2)CC1.CC(C)c1nc(NCC2CCCCC2)nc(Nc2ccc3ncsc3c2)n1.CC(C)c1nc(NCc2ccccc2)nc(Nc2ccc3ncsc3c2)n1.CC(C)c1nc(Nc2ccc(C(=O)NCC3CCCCC3)cc2)nc(Nc2cccc(Cc3nc4ccccc4s3)c2)n1.CC(C)c1nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)nc(Nc2cccc(Cc3nc4ccccc4s3)c2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(N2CCCC2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(N2CCOCC2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(NC2CCCCC2)n1.CCOc1nc(Nc2cccc(Cc3nc4ccccc4s3)c2)nc(C(C)C)n1.O=C(O)c1ccc(Cc2ncc(Cl)c(Cc3ccc4ncsc4c3)n2)cc1
InChIInChI=1S/C34H37N7OS.C34H31N7OS.C31H33ClN4O3S.C22H23N5OS.C20H14ClN3O2S.C20H26N6S.C20H20N6S.C19H24N6S.C17H20N6OS.C17H20N6S/c2*1-22(2)31-39-33(36-26-17-15-25(16-18-26)32(42)35-21-23-9-4-3-5-10-23)41-34(40-31)37-27-12-8-11-24(19-27)20-30-38-28-13-6-7-14-29(28)43-30;1-31(2,3)39-29(37)17-21-10-12-36(13-11-21)30(38)23-7-4-20(5-8-23)16-28-33-18-24(32)26(35-28)14-22-6-9-25-27(15-22)40-19-34-25;1-4-28-22-26-20(14(2)3)25-21(27-22)23-16-9-7-8-15(12-16)13-19-24-17-10-5-6-11-18(17)29-19;21-15-10-22-19(9-12-1-4-14(5-2-12)20(25)26)24-17(15)7-13-3-6-16-18(8-13)27-11-23-16;2*1-13(2)18-24-19(21-11-14-6-4-3-5-7-14)26-20(25-18)23-15-8-9-16-17(10-15)27-12-22-16;1-12(2)17-23-18(21-13-6-4-3-5-7-13)25-19(24-17)22-14-8-9-15-16(10-14)26-11-20-15;1-11(2)15-20-16(22-17(21-15)23-5-7-24-8-6-23)19-12-3-4-13-14(9-12)25-10-18-13;1-11(2)15-20-16(22-17(21-15)23-7-3-4-8-23)19-12-5-6-13-14(9-12)24-10-18-13/h6-8,11-19,22-23H,3-5,9-10,20-21H2,1-2H3,(H,35,42)(H2,36,37,39,40,41);3-19,22H,20-21H2,1-2H3,(H,35,42)(H2,36,37,39,40,41);4-9,15,18-19,21H,10-14,16-17H2,1-3H3;5-12,14H,4,13H2,1-3H3,(H,23,25,26,27);1-6,8,10-11H,7,9H2,(H,25,26);8-10,12-14H,3-7,11H2,1-2H3,(H2,21,23,24,25,26);3-10,12-13H,11H2,1-2H3,(H2,21,23,24,25,26);8-13H,3-7H2,1-2H3,(H2,21,22,23,24,25);3-4,9-11H,5-8H2,1-2H3,(H,19,20,21,22);5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20,21,22)
InChIKeyKARUIDVKQMDPCV-UHFFFAOYSA-N
MW4380.52 g/mol
LogP54.60
Rot. Bonds64

About 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine

2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine (PubChem CID 159079687) has the molecular formula C234H248Cl2N56O9S10 and a molecular weight of 4380.52 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine
PubChem CID159079687
Molecular FormulaC234H248Cl2N56O9S10
Molecular Weight4380.52 g/mol
Exact Mass4375.73
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine
SMILESCC(C)(C)OC(=O)CC1CCN(C(=O)c2ccc(Cc3ncc(Cl)c(Cc4ccc5ncsc5c4)n3)cc2)CC1.CC(C)c1nc(NCC2CCCCC2)nc(Nc2ccc3ncsc3c2)n1.CC(C)c1nc(NCc2ccccc2)nc(Nc2ccc3ncsc3c2)n1.CC(C)c1nc(Nc2ccc(C(=O)NCC3CCCCC3)cc2)nc(Nc2cccc(Cc3nc4ccccc4s3)c2)n1.CC(C)c1nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)nc(Nc2cccc(Cc3nc4ccccc4s3)c2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(N2CCCC2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(N2CCOCC2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(NC2CCCCC2)n1.CCOc1nc(Nc2cccc(Cc3nc4ccccc4s3)c2)nc(C(C)C)n1.O=C(O)c1ccc(Cc2ncc(Cl)c(Cc3ccc4ncsc4c3)n2)cc1
InChIInChI=1S/C34H37N7OS.C34H31N7OS.C31H33ClN4O3S.C22H23N5OS.C20H14ClN3O2S.C20H26N6S.C20H20N6S.C19H24N6S.C17H20N6OS.C17H20N6S/c2*1-22(2)31-39-33(36-26-17-15-25(16-18-26)32(42)35-21-23-9-4-3-5-10-23)41-34(40-31)37-27-12-8-11-24(19-27)20-30-38-28-13-6-7-14-29(28)43-30;1-31(2,3)39-29(37)17-21-10-12-36(13-11-21)30(38)23-7-4-20(5-8-23)16-28-33-18-24(32)26(35-28)14-22-6-9-25-27(15-22)40-19-34-25;1-4-28-22-26-20(14(2)3)25-21(27-22)23-16-9-7-8-15(12-16)13-19-24-17-10-5-6-11-18(17)29-19;21-15-10-22-19(9-12-1-4-14(5-2-12)20(25)26)24-17(15)7-13-3-6-16-18(8-13)27-11-23-16;2*1-13(2)18-24-19(21-11-14-6-4-3-5-7-14)26-20(25-18)23-15-8-9-16-17(10-15)27-12-22-16;1-12(2)17-23-18(21-13-6-4-3-5-7-13)25-19(24-17)22-14-8-9-15-16(10-14)26-11-20-15;1-11(2)15-20-16(22-17(21-15)23-5-7-24-8-6-23)19-12-3-4-13-14(9-12)25-10-18-13;1-11(2)15-20-16(22-17(21-15)23-7-3-4-8-23)19-12-5-6-13-14(9-12)24-10-18-13/h6-8,11-19,22-23H,3-5,9-10,20-21H2,1-2H3,(H,35,42)(H2,36,37,39,40,41);3-19,22H,20-21H2,1-2H3,(H,35,42)(H2,36,37,39,40,41);4-9,15,18-19,21H,10-14,16-17H2,1-3H3;5-12,14H,4,13H2,1-3H3,(H,23,25,26,27);1-6,8,10-11H,7,9H2,(H,25,26);8-10,12-14H,3-7,11H2,1-2H3,(H2,21,23,24,25,26);3-10,12-13H,11H2,1-2H3,(H2,21,23,24,25,26);8-13H,3-7H2,1-2H3,(H2,21,22,23,24,25);3-4,9-11H,5-8H2,1-2H3,(H,19,20,21,22);5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20,21,22)
InChIKeyKARUIDVKQMDPCV-UHFFFAOYSA-N
XLogP54.60
TPSA813.26 Ų
H-Bond Donors16
H-Bond Acceptors71
Rotatable Bonds64
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004380.52
LogP ≤ 554.60
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1071

Analyze 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine (CID 159079687) is 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine is CC(C)(C)OC(=O)CC1CCN(C(=O)c2ccc(Cc3ncc(Cl)c(Cc4ccc5ncsc5c4)n3)cc2)CC1.CC(C)c1nc(NCC2CCCCC2)nc(Nc2ccc3ncsc3c2)n1.CC(C)c1nc(NCc2ccccc2)nc(Nc2ccc3ncsc3c2)n1.CC(C)c1nc(Nc2ccc(C(=O)NCC3CCCCC3)cc2)nc(Nc2cccc(Cc3nc4ccccc4s3)c2)n1.CC(C)c1nc(Nc2ccc(C(=O)NCc3ccccc3)cc2)nc(Nc2cccc(Cc3nc4ccccc4s3)c2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(N2CCCC2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(N2CCOCC2)n1.CC(C)c1nc(Nc2ccc3ncsc3c2)nc(NC2CCCCC2)n1.CCOc1nc(Nc2cccc(Cc3nc4ccccc4s3)c2)nc(C(C)C)n1.O=C(O)c1ccc(Cc2ncc(Cl)c(Cc3ccc4ncsc4c3)n2)cc1.
What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine?
The InChIKey is KARUIDVKQMDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7OS.C34H31N7OS.C31H33ClN4O3S.C22H23N5OS.C20H14ClN3O2S.C20H26N6S.C20H20N6S.C19H24N6S.C17H20N6OS.C17H20N6S/c2*1-22(2)31-39-33(36-26-17-15-25(16-18-26)32(42)35-21-23-9-4-3-5-10-23)41-34(40-31)37-27-12-8-11-24(19-27)20-30-38-28-13-6-7-14-29(28)43-30;1-31(2,3)39-29(37)17-21-10-12-36(13-11-21)30(38)23-7-4-20(5-8-23)16-28-33-18-24(32)26(35-28)14-22-6-9-25-27(15-22)40-19-34-25;1-4-28-22-26-20(14(2)3)25-21(27-22)23-16-9-7-8-15(12-16)13-19-24-17-10-5-6-11-18(17)29-19;21-15-10-22-19(9-12-1-4-14(5-2-12)20(25)26)24-17(15)7-13-3-6-16-18(8-13)27-11-23-16;2*1-13(2)18-24-19(21-11-14-6-4-3-5-7-14)26-20(25-18)23-15-8-9-16-17(10-15)27-12-22-16;1-12(2)17-23-18(21-13-6-4-3-5-7-13)25-19(24-17)22-14-8-9-15-16(10-14)26-11-20-15;1-11(2)15-20-16(22-17(21-15)23-5-7-24-8-6-23)19-12-3-4-13-14(9-12)25-10-18-13;1-11(2)15-20-16(22-17(21-15)23-7-3-4-8-23)19-12-5-6-13-14(9-12)24-10-18-13/h6-8,11-19,22-23H,3-5,9-10,20-21H2,1-2H3,(H,35,42)(H2,36,37,39,40,41);3-19,22H,20-21H2,1-2H3,(H,35,42)(H2,36,37,39,40,41);4-9,15,18-19,21H,10-14,16-17H2,1-3H3;5-12,14H,4,13H2,1-3H3,(H,23,25,26,27);1-6,8,10-11H,7,9H2,(H,25,26);8-10,12-14H,3-7,11H2,1-2H3,(H2,21,23,24,25,26);3-10,12-13H,11H2,1-2H3,(H2,21,23,24,25,26);8-13H,3-7H2,1-2H3,(H2,21,22,23,24,25);3-4,9-11H,5-8H2,1-2H3,(H,19,20,21,22);5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20,21,22).
What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine?
2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine has a molecular weight of 4380.52 g/mol, XLogP of 54.60, 64 rotatable bonds, 16 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzothiazol-6-yl)-4-N-benzyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-(1,3-benzothiazol-6-yl)-4-N-(cyclohexylmethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1,3-benzothiazol-6-yl)-2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide;4-[[4-[3-(1,3-benzothiazol-2-ylmethyl)anilino]-6-propan-2-yl-1,3,5-triazin-2-yl]amino]-N-(cyclohexylmethyl)benzamide;4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoic acid;N-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-ethoxy-6-propan-2-yl-1,3,5-triazin-2-amine;tert-butyl 2-[1-[4-[[4-(1,3-benzothiazol-6-ylmethyl)-5-chloropyrimidin-2-yl]methyl]benzoyl]piperidin-4-yl]acetate;N-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine;N-(4-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 159079687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).