1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C130H124ClN29O19S12 — CID 159796597

IUPAC1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCOc1cccc(Sc2cnc(Nc3nc(C(O)CO)cs3)c(Oc3cccnc3C)c2)c1.Cc1ccc(C)c(Sc2cnc(Nc3nc(C(O)CO)cs3)c(Oc3cccnc3C)c2)c1.Cc1ncccc1Oc1cc(Sc2cccc(Cl)c2)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccc2)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2nccn2C)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2nncn2C)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C24H24N4O3S2.C23H22N4O4S2.C22H19ClN4O3S2.C22H20N4O3S2.C20H20N6O3S2.C19H19N7O3S2/c1-14-6-7-15(2)22(9-14)33-17-10-21(31-20-5-4-8-25-16(20)3)23(26-11-17)28-24-27-18(13-32-24)19(30)12-29;1-14-20(7-4-8-24-14)31-21-10-17(33-16-6-3-5-15(9-16)30-2)11-25-22(21)27-23-26-18(13-32-23)19(29)12-28;1-13-19(6-3-7-24-13)30-20-9-16(32-15-5-2-4-14(23)8-15)10-25-21(20)27-22-26-17(12-31-22)18(29)11-28;1-14-19(8-5-9-23-14)29-20-10-16(31-15-6-3-2-4-7-15)11-24-21(20)26-22-25-17(13-30-22)18(28)12-27;1-12-16(4-3-5-21-12)29-17-8-13(31-20-22-6-7-26(20)2)9-23-18(17)25-19-24-14(11-30-19)15(28)10-27;1-11-15(4-3-5-20-11)29-16-6-12(31-19-25-22-10-26(19)2)7-21-17(16)24-18-23-13(9-30-18)14(28)8-27/h4-11,13,19,29-30H,12H2,1-3H3,(H,26,27,28);3-11,13,19,28-29H,12H2,1-2H3,(H,25,26,27);2-10,12,18,28-29H,11H2,1H3,(H,25,26,27);2-11,13,18,27-28H,12H2,1H3,(H,24,25,26);3-9,11,15,27-28H,10H2,1-2H3,(H,23,24,25);3-7,9-10,14,27-28H,8H2,1-2H3,(H,21,23,24)
InChIKeyNJGBDDCOMNANNK-UHFFFAOYSA-N
MW2816.86 g/mol
LogP27.87
Rot. Bonds49

About 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 159796597) has the molecular formula C130H124ClN29O19S12 and a molecular weight of 2816.86 g/mol. Its IUPAC name is 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID159796597
Molecular FormulaC130H124ClN29O19S12
Molecular Weight2816.86 g/mol
Exact Mass2813.60
IUPAC Name1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCOc1cccc(Sc2cnc(Nc3nc(C(O)CO)cs3)c(Oc3cccnc3C)c2)c1.Cc1ccc(C)c(Sc2cnc(Nc3nc(C(O)CO)cs3)c(Oc3cccnc3C)c2)c1.Cc1ncccc1Oc1cc(Sc2cccc(Cl)c2)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccc2)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2nccn2C)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2nncn2C)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C24H24N4O3S2.C23H22N4O4S2.C22H19ClN4O3S2.C22H20N4O3S2.C20H20N6O3S2.C19H19N7O3S2/c1-14-6-7-15(2)22(9-14)33-17-10-21(31-20-5-4-8-25-16(20)3)23(26-11-17)28-24-27-18(13-32-24)19(30)12-29;1-14-20(7-4-8-24-14)31-21-10-17(33-16-6-3-5-15(9-16)30-2)11-25-22(21)27-23-26-18(13-32-23)19(29)12-28;1-13-19(6-3-7-24-13)30-20-9-16(32-15-5-2-4-14(23)8-15)10-25-21(20)27-22-26-17(12-31-22)18(29)11-28;1-14-19(8-5-9-23-14)29-20-10-16(31-15-6-3-2-4-7-15)11-24-21(20)26-22-25-17(13-30-22)18(28)12-27;1-12-16(4-3-5-21-12)29-17-8-13(31-20-22-6-7-26(20)2)9-23-18(17)25-19-24-14(11-30-19)15(28)10-27;1-11-15(4-3-5-20-11)29-16-6-12(31-19-25-22-10-26(19)2)7-21-17(16)24-18-23-13(9-30-18)14(28)8-27/h4-11,13,19,29-30H,12H2,1-3H3,(H,26,27,28);3-11,13,19,28-29H,12H2,1-2H3,(H,25,26,27);2-10,12,18,28-29H,11H2,1H3,(H,25,26,27);2-11,13,18,27-28H,12H2,1H3,(H,24,25,26);3-9,11,15,27-28H,10H2,1-2H3,(H,23,24,25);3-7,9-10,14,27-28H,8H2,1-2H3,(H,21,23,24)
InChIKeyNJGBDDCOMNANNK-UHFFFAOYSA-N
XLogP27.87
TPSA660.10 Ų
H-Bond Donors18
H-Bond Acceptors60
Rotatable Bonds49
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002816.86
LogP ≤ 527.87
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1060

Analyze 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 159796597) is 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is COc1cccc(Sc2cnc(Nc3nc(C(O)CO)cs3)c(Oc3cccnc3C)c2)c1.Cc1ccc(C)c(Sc2cnc(Nc3nc(C(O)CO)cs3)c(Oc3cccnc3C)c2)c1.Cc1ncccc1Oc1cc(Sc2cccc(Cl)c2)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccc2)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2nccn2C)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2nncn2C)cnc1Nc1nc(C(O)CO)cs1.
What is the InChIKey of 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is NJGBDDCOMNANNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2.C23H22N4O4S2.C22H19ClN4O3S2.C22H20N4O3S2.C20H20N6O3S2.C19H19N7O3S2/c1-14-6-7-15(2)22(9-14)33-17-10-21(31-20-5-4-8-25-16(20)3)23(26-11-17)28-24-27-18(13-32-24)19(30)12-29;1-14-20(7-4-8-24-14)31-21-10-17(33-16-6-3-5-15(9-16)30-2)11-25-22(21)27-23-26-18(13-32-23)19(29)12-28;1-13-19(6-3-7-24-13)30-20-9-16(32-15-5-2-4-14(23)8-15)10-25-21(20)27-22-26-17(12-31-22)18(29)11-28;1-14-19(8-5-9-23-14)29-20-10-16(31-15-6-3-2-4-7-15)11-24-21(20)26-22-25-17(13-30-22)18(28)12-27;1-12-16(4-3-5-21-12)29-17-8-13(31-20-22-6-7-26(20)2)9-23-18(17)25-19-24-14(11-30-19)15(28)10-27;1-11-15(4-3-5-20-11)29-16-6-12(31-19-25-22-10-26(19)2)7-21-17(16)24-18-23-13(9-30-18)14(28)8-27/h4-11,13,19,29-30H,12H2,1-3H3,(H,26,27,28);3-11,13,19,28-29H,12H2,1-2H3,(H,25,26,27);2-10,12,18,28-29H,11H2,1H3,(H,25,26,27);2-11,13,18,27-28H,12H2,1H3,(H,24,25,26);3-9,11,15,27-28H,10H2,1-2H3,(H,23,24,25);3-7,9-10,14,27-28H,8H2,1-2H3,(H,21,23,24).
What are the key properties of 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 2816.86 g/mol, XLogP of 27.87, 49 rotatable bonds, 18 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(3-chlorophenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2,5-dimethylphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-methoxyphenyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-methylimidazol-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 159796597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).