2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol

C139H161Br2F3N18O21S14 — CID 159285501

IUPAC2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol
SMILESCN(C)CCCOC(OCCCN(C)C)C1CSC(c2nc3ccc(O)cc3s2)=N1.COC(OC)C1CSC(c2nc3ccc(NCCCO)cc3s2)=N1.COC(OCCCN(C)C)C1CSC(c2nc3ccc(O)cc3s2)=N1.COC(OCCc1ccccc1)C1CSC(c2nc3ccc(O)cc3s2)=N1.Oc1ccc2nc(C3=NC(C(OCCCBr)OCCCBr)CS3)sc2c1.Oc1ccc2nc(C3=NC(C(OCCc4ccccc4)OCC(F)(F)F)CS3)sc2c1.Oc1ccc2nc(C3=NC(C(OCCc4ccccc4)OCCc4ccccc4)CS3)sc2c1
InChIInChI=1S/C27H26N2O3S2.C21H19F3N2O3S2.C21H32N4O3S2.C20H20N2O3S2.C17H20Br2N2O3S2.C17H23N3O3S2.C16H21N3O3S2/c30-21-11-12-22-24(17-21)34-26(28-22)25-29-23(18-33-25)27(31-15-13-19-7-3-1-4-8-19)32-16-14-20-9-5-2-6-10-20;22-21(23,24)12-29-20(28-9-8-13-4-2-1-3-5-13)16-11-30-18(26-16)19-25-15-7-6-14(27)10-17(15)31-19;1-24(2)9-5-11-27-21(28-12-6-10-25(3)4)17-14-29-19(23-17)20-22-16-8-7-15(26)13-18(16)30-20;1-24-20(25-10-9-13-5-3-2-4-6-13)16-12-26-18(22-16)19-21-15-8-7-14(23)11-17(15)27-19;18-5-1-7-23-17(24-8-2-6-19)13-10-25-15(21-13)16-20-12-4-3-11(22)9-14(12)26-16;1-20(2)7-4-8-23-17(22-3)13-10-24-15(19-13)16-18-12-6-5-11(21)9-14(12)25-16;1-21-16(22-2)12-9-23-14(19-12)15-18-11-5-4-10(8-13(11)24-15)17-6-3-7-20/h1-12,17,23,27,30H,13-16,18H2;1-7,10,16,20,27H,8-9,11-12H2;7-8,13,17,21,26H,5-6,9-12,14H2,1-4H3;2-8,11,16,20,23H,9-10,12H2,1H3;3-4,9,13,17,22H,1-2,5-8,10H2;5-6,9,13,17,21H,4,7-8,10H2,1-3H3;4-5,8,12,16-17,20H,3,6-7,9H2,1-2H3
InChIKeyKZLODOKVMWMQAD-UHFFFAOYSA-N
MW3085.66 g/mol
LogP28.13
Rot. Bonds63

About 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol

2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol (PubChem CID 159285501) has the molecular formula C139H161Br2F3N18O21S14 and a molecular weight of 3085.66 g/mol. Its IUPAC name is 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol
PubChem CID159285501
Molecular FormulaC139H161Br2F3N18O21S14
Molecular Weight3085.66 g/mol
Exact Mass3080.65
IUPAC Name2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol
SMILESCN(C)CCCOC(OCCCN(C)C)C1CSC(c2nc3ccc(O)cc3s2)=N1.COC(OC)C1CSC(c2nc3ccc(NCCCO)cc3s2)=N1.COC(OCCCN(C)C)C1CSC(c2nc3ccc(O)cc3s2)=N1.COC(OCCc1ccccc1)C1CSC(c2nc3ccc(O)cc3s2)=N1.Oc1ccc2nc(C3=NC(C(OCCCBr)OCCCBr)CS3)sc2c1.Oc1ccc2nc(C3=NC(C(OCCc4ccccc4)OCC(F)(F)F)CS3)sc2c1.Oc1ccc2nc(C3=NC(C(OCCc4ccccc4)OCCc4ccccc4)CS3)sc2c1
InChIInChI=1S/C27H26N2O3S2.C21H19F3N2O3S2.C21H32N4O3S2.C20H20N2O3S2.C17H20Br2N2O3S2.C17H23N3O3S2.C16H21N3O3S2/c30-21-11-12-22-24(17-21)34-26(28-22)25-29-23(18-33-25)27(31-15-13-19-7-3-1-4-8-19)32-16-14-20-9-5-2-6-10-20;22-21(23,24)12-29-20(28-9-8-13-4-2-1-3-5-13)16-11-30-18(26-16)19-25-15-7-6-14(27)10-17(15)31-19;1-24(2)9-5-11-27-21(28-12-6-10-25(3)4)17-14-29-19(23-17)20-22-16-8-7-15(26)13-18(16)30-20;1-24-20(25-10-9-13-5-3-2-4-6-13)16-12-26-18(22-16)19-21-15-8-7-14(23)11-17(15)27-19;18-5-1-7-23-17(24-8-2-6-19)13-10-25-15(21-13)16-20-12-4-3-11(22)9-14(12)26-16;1-20(2)7-4-8-23-17(22-3)13-10-24-15(19-13)16-18-12-6-5-11(21)9-14(12)25-16;1-21-16(22-2)12-9-23-14(19-12)15-18-11-5-4-10(8-13(11)24-15)17-6-3-7-20/h1-12,17,23,27,30H,13-16,18H2;1-7,10,16,20,27H,8-9,11-12H2;7-8,13,17,21,26H,5-6,9-12,14H2,1-4H3;2-8,11,16,20,23H,9-10,12H2,1H3;3-4,9,13,17,22H,1-2,5-8,10H2;5-6,9,13,17,21H,4,7-8,10H2,1-3H3;4-5,8,12,16-17,20H,3,6-7,9H2,1-2H3
InChIKeyKZLODOKVMWMQAD-UHFFFAOYSA-N
XLogP28.13
TPSA469.33 Ų
H-Bond Donors8
H-Bond Acceptors53
Rotatable Bonds63
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003085.66
LogP ≤ 528.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol (CID 159285501) is 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol is CN(C)CCCOC(OCCCN(C)C)C1CSC(c2nc3ccc(O)cc3s2)=N1.COC(OC)C1CSC(c2nc3ccc(NCCCO)cc3s2)=N1.COC(OCCCN(C)C)C1CSC(c2nc3ccc(O)cc3s2)=N1.COC(OCCc1ccccc1)C1CSC(c2nc3ccc(O)cc3s2)=N1.Oc1ccc2nc(C3=NC(C(OCCCBr)OCCCBr)CS3)sc2c1.Oc1ccc2nc(C3=NC(C(OCCc4ccccc4)OCC(F)(F)F)CS3)sc2c1.Oc1ccc2nc(C3=NC(C(OCCc4ccccc4)OCCc4ccccc4)CS3)sc2c1.
What is the InChIKey of 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol?
The InChIKey is KZLODOKVMWMQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3S2.C21H19F3N2O3S2.C21H32N4O3S2.C20H20N2O3S2.C17H20Br2N2O3S2.C17H23N3O3S2.C16H21N3O3S2/c30-21-11-12-22-24(17-21)34-26(28-22)25-29-23(18-33-25)27(31-15-13-19-7-3-1-4-8-19)32-16-14-20-9-5-2-6-10-20;22-21(23,24)12-29-20(28-9-8-13-4-2-1-3-5-13)16-11-30-18(26-16)19-25-15-7-6-14(27)10-17(15)31-19;1-24(2)9-5-11-27-21(28-12-6-10-25(3)4)17-14-29-19(23-17)20-22-16-8-7-15(26)13-18(16)30-20;1-24-20(25-10-9-13-5-3-2-4-6-13)16-12-26-18(22-16)19-21-15-8-7-14(23)11-17(15)27-19;18-5-1-7-23-17(24-8-2-6-19)13-10-25-15(21-13)16-20-12-4-3-11(22)9-14(12)26-16;1-20(2)7-4-8-23-17(22-3)13-10-24-15(19-13)16-18-12-6-5-11(21)9-14(12)25-16;1-21-16(22-2)12-9-23-14(19-12)15-18-11-5-4-10(8-13(11)24-15)17-6-3-7-20/h1-12,17,23,27,30H,13-16,18H2;1-7,10,16,20,27H,8-9,11-12H2;7-8,13,17,21,26H,5-6,9-12,14H2,1-4H3;2-8,11,16,20,23H,9-10,12H2,1H3;3-4,9,13,17,22H,1-2,5-8,10H2;5-6,9,13,17,21H,4,7-8,10H2,1-3H3;4-5,8,12,16-17,20H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol?
2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol has a molecular weight of 3085.66 g/mol, XLogP of 28.13, 63 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(3-bromopropoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis[3-(dimethylamino)propoxy]methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[bis(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;3-[[2-[4-(dimethoxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]amino]propan-1-ol;2-[4-[3-(dimethylamino)propoxy-methoxymethyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[methoxy(2-phenylethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol;2-[4-[2-phenylethoxy(2,2,2-trifluoroethoxy)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 159285501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).