1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C106H107N37O22S12 — CID 161061850

IUPAC1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCn1cncc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cn1cnnc1Oc1cc(SCCO)cnc1Nc1nc(C(O)CO)cs1.Cn1cnnc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2ccc3nncn3c2)c1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccn3cnnc23)c1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccn3ncnc23)c1
InChIInChI=1S/C19H18N6O3S2.C18H17N7O3S2.3C18H18N6O4S2.C15H18N6O4S2/c1-25-11-20-8-17(25)28-15-6-12(30-16-4-2-3-5-21-16)7-22-18(15)24-19-23-13(10-29-19)14(27)9-26;1-25-10-21-24-18(25)28-14-6-11(30-15-4-2-3-5-19-15)7-20-16(14)23-17-22-12(9-29-17)13(27)8-26;25-3-4-29-12-5-15(28-11-1-2-16-23-20-10-24(16)7-11)17(19-6-12)22-18-21-13(9-30-18)14(27)8-26;25-4-5-29-11-6-15(28-14-2-1-3-24-10-20-23-17(14)24)16(19-7-11)22-18-21-12(9-30-18)13(27)8-26;25-4-5-29-11-6-15(28-14-2-1-3-24-17(14)20-10-21-24)16(19-7-11)23-18-22-12(9-30-18)13(27)8-26;1-21-8-17-20-15(21)25-12-4-9(26-3-2-22)5-16-13(12)19-14-18-10(7-27-14)11(24)6-23/h2-8,10-11,14,26-27H,9H2,1H3,(H,22,23,24);2-7,9-10,13,26-27H,8H2,1H3,(H,20,22,23);1-2,5-7,9-10,14,25-27H,3-4,8H2,(H,19,21,22);1-3,6-7,9-10,13,25-27H,4-5,8H2,(H,19,21,22);1-3,6-7,9-10,13,25-27H,4-5,8H2,(H,19,22,23);4-5,7-8,11,22-24H,2-3,6H2,1H3,(H,16,18,19)
InChIKeyUDMQJQQDJYSLII-UHFFFAOYSA-N
MW2636.06 g/mol
LogP14.15
Rot. Bonds52

About 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 161061850) has the molecular formula C106H107N37O22S12 and a molecular weight of 2636.06 g/mol. Its IUPAC name is 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID161061850
Molecular FormulaC106H107N37O22S12
Molecular Weight2636.06 g/mol
Exact Mass2633.50
IUPAC Name1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCn1cncc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cn1cnnc1Oc1cc(SCCO)cnc1Nc1nc(C(O)CO)cs1.Cn1cnnc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2ccc3nncn3c2)c1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccn3cnnc23)c1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccn3ncnc23)c1
InChIInChI=1S/C19H18N6O3S2.C18H17N7O3S2.3C18H18N6O4S2.C15H18N6O4S2/c1-25-11-20-8-17(25)28-15-6-12(30-16-4-2-3-5-21-16)7-22-18(15)24-19-23-13(10-29-19)14(27)9-26;1-25-10-21-24-18(25)28-14-6-11(30-15-4-2-3-5-19-15)7-20-16(14)23-17-22-12(9-29-17)13(27)8-26;25-3-4-29-12-5-15(28-11-1-2-16-23-20-10-24(16)7-11)17(19-6-12)22-18-21-13(9-30-18)14(27)8-26;25-4-5-29-11-6-15(28-14-2-1-3-24-10-20-23-17(14)24)16(19-7-11)22-18-21-12(9-30-18)13(27)8-26;25-4-5-29-11-6-15(28-14-2-1-3-24-17(14)20-10-21-24)16(19-7-11)23-18-22-12(9-30-18)13(27)8-26;1-21-8-17-20-15(21)25-12-4-9(26-3-2-22)5-16-13(12)19-14-18-10(7-27-14)11(24)6-23/h2-8,10-11,14,26-27H,9H2,1H3,(H,22,23,24);2-7,9-10,13,26-27H,8H2,1H3,(H,20,22,23);1-2,5-7,9-10,14,25-27H,3-4,8H2,(H,19,21,22);1-3,6-7,9-10,13,25-27H,4-5,8H2,(H,19,21,22);1-3,6-7,9-10,13,25-27H,4-5,8H2,(H,19,22,23);4-5,7-8,11,22-24H,2-3,6H2,1H3,(H,16,18,19)
InChIKeyUDMQJQQDJYSLII-UHFFFAOYSA-N
XLogP14.15
TPSA801.51 Ų
H-Bond Donors22
H-Bond Acceptors71
Rotatable Bonds52
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002636.06
LogP ≤ 514.15
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1071

Analyze 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[[5-(2-Hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443612
1-[2-[[5-(2-Hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443622
1-[2-[[5-(2-Hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443671
1-[2-[[5-Pyridin-2-ylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443676
1-[2-[[5-(2-Hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443693
1-[2-[[5-Pyridin-2-ylsulfanyl-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443699
1-[2-[[5-Pyridin-2-ylsulfanyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443710
1-[2-[[5-Pyridin-2-ylsulfanyl-3-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443727
N-[6-[[6-(dimethylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 157197768
1-[2-[[5-(1-Hydroxy-2-methylpropan-2-yl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxy-2-methylpropyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxypropylsulfanyl)-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-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 159189323
2-Methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol;2-methyl-2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol;1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol;2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol;2-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol
CID 159758217
1-[2-[[5-(2-Hydroxyethylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxy-1-phenylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-hydroxypropan-2-ylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(3-hydroxypropylsulfanyl)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-[(2-methyl-3-pyridinyl)sulfanyl]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 160962319

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 161061850) is 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cn1cncc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cn1cnnc1Oc1cc(SCCO)cnc1Nc1nc(C(O)CO)cs1.Cn1cnnc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2ccc3nncn3c2)c1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccn3cnnc23)c1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccn3ncnc23)c1.
What is the InChIKey of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is UDMQJQQDJYSLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S2.C18H17N7O3S2.3C18H18N6O4S2.C15H18N6O4S2/c1-25-11-20-8-17(25)28-15-6-12(30-16-4-2-3-5-21-16)7-22-18(15)24-19-23-13(10-29-19)14(27)9-26;1-25-10-21-24-18(25)28-14-6-11(30-15-4-2-3-5-19-15)7-20-16(14)23-17-22-12(9-29-17)13(27)8-26;25-3-4-29-12-5-15(28-11-1-2-16-23-20-10-24(16)7-11)17(19-6-12)22-18-21-13(9-30-18)14(27)8-26;25-4-5-29-11-6-15(28-14-2-1-3-24-10-20-23-17(14)24)16(19-7-11)22-18-21-12(9-30-18)13(27)8-26;25-4-5-29-11-6-15(28-14-2-1-3-24-17(14)20-10-21-24)16(19-7-11)23-18-22-12(9-30-18)13(27)8-26;1-21-8-17-20-15(21)25-12-4-9(26-3-2-22)5-16-13(12)19-14-18-10(7-27-14)11(24)6-23/h2-8,10-11,14,26-27H,9H2,1H3,(H,22,23,24);2-7,9-10,13,26-27H,8H2,1H3,(H,20,22,23);1-2,5-7,9-10,14,25-27H,3-4,8H2,(H,19,21,22);1-3,6-7,9-10,13,25-27H,4-5,8H2,(H,19,21,22);1-3,6-7,9-10,13,25-27H,4-5,8H2,(H,19,22,23);4-5,7-8,11,22-24H,2-3,6H2,1H3,(H,16,18,19).
What are the key properties of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 2636.06 g/mol, XLogP of 14.15, 52 rotatable bonds, 22 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 161061850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).