1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C102H100N28O16S10 — CID 161392643

IUPAC1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1nnccc1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(SCCO)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(SCc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(Sc2ccccc2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(Sc2cccnc2C)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C22H22N6O3S2.2C21H20N6O3S2.C21H19N5O3S2.C17H19N5O4S2/c1-13-19(6-8-25-28-13)31-20-9-15(33-14(2)16-5-3-4-7-23-16)10-24-21(20)27-22-26-17(12-32-22)18(30)11-29;1-12-17(5-7-24-27-12)30-18-8-14(32-19-4-3-6-22-13(19)2)9-23-20(18)26-21-25-15(11-31-21)16(29)10-28;1-13-18(5-7-24-27-13)30-19-8-15(31-11-14-4-2-3-6-22-14)9-23-20(19)26-21-25-16(12-32-21)17(29)10-28;1-13-18(7-8-23-26-13)29-19-9-15(31-14-5-3-2-4-6-14)10-22-20(19)25-21-24-16(12-30-21)17(28)11-27;1-10-14(2-3-19-22-10)26-15-6-11(27-5-4-23)7-18-16(15)21-17-20-12(9-28-17)13(25)8-24/h3-10,12,14,18,29-30H,11H2,1-2H3,(H,24,26,27);3-9,11,16,28-29H,10H2,1-2H3,(H,23,25,26);2-9,12,17,28-29H,10-11H2,1H3,(H,23,25,26);2-10,12,17,27-28H,11H2,1H3,(H,22,24,25);2-3,6-7,9,13,23-25H,4-5,8H2,1H3,(H,18,20,21)
InChIKeyVTENOPNFKIVCBD-UHFFFAOYSA-N
MW2294.77 g/mol
LogP19.02
Rot. Bonds43

About 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 161392643) has the molecular formula C102H100N28O16S10 and a molecular weight of 2294.77 g/mol. Its IUPAC name is 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID161392643
Molecular FormulaC102H100N28O16S10
Molecular Weight2294.77 g/mol
Exact Mass2292.51
IUPAC Name1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1nnccc1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(SCCO)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(SCc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(Sc2ccccc2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(Sc2cccnc2C)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C22H22N6O3S2.2C21H20N6O3S2.C21H19N5O3S2.C17H19N5O4S2/c1-13-19(6-8-25-28-13)31-20-9-15(33-14(2)16-5-3-4-7-23-16)10-24-21(20)27-22-26-17(12-32-22)18(30)11-29;1-12-17(5-7-24-27-12)30-18-8-14(32-19-4-3-6-22-13(19)2)9-23-20(18)26-21-25-15(11-31-21)16(29)10-28;1-13-18(5-7-24-27-13)30-19-8-15(31-11-14-4-2-3-6-22-14)9-23-20(19)26-21-25-16(12-32-21)17(29)10-28;1-13-18(7-8-23-26-13)29-19-9-15(31-14-5-3-2-4-6-14)10-22-20(19)25-21-24-16(12-30-21)17(28)11-27;1-10-14(2-3-19-22-10)26-15-6-11(27-5-4-23)7-18-16(15)21-17-20-12(9-28-17)13(25)8-24/h3-10,12,14,18,29-30H,11H2,1-2H3,(H,24,26,27);3-9,11,16,28-29H,10H2,1-2H3,(H,23,25,26);2-9,12,17,28-29H,10-11H2,1H3,(H,23,25,26);2-10,12,17,27-28H,11H2,1H3,(H,22,24,25);2-3,6-7,9,13,23-25H,4-5,8H2,1H3,(H,18,20,21)
InChIKeyVTENOPNFKIVCBD-UHFFFAOYSA-N
XLogP19.02
TPSA625.30 Ų
H-Bond Donors16
H-Bond Acceptors54
Rotatable Bonds43
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002294.77
LogP ≤ 519.02
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1054

Analyze 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-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-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443608
1-[2-[[3-(3-Methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443610
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 59443611
1-[2-[[3-(3-Methylpyridazin-4-yl)oxy-5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443623
1-[2-[[5-Pyridin-2-ylsulfanyl-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443631
1-[2-[[3-(2,5-Dimethylpyrazol-3-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443632
1-[2-[[5-[(2-Methyl-3-pyridinyl)sulfanyl]-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443637
1-[2-[[5-(Pyridin-2-ylmethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443665
1-[2-[[3-(2,5-Dimethylpyrazol-3-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443674
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-(1-Pyridin-2-ylethylsulfanyl)-3-(1,3,5-trimethylpyrazol-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443684
1-[2-[[3-(2,5-Dimethylpyrazol-3-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443695

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 161392643) is 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1nnccc1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(SCCO)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(SCc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(Sc2ccccc2)cnc1Nc1nc(C(O)CO)cs1.Cc1nnccc1Oc1cc(Sc2cccnc2C)cnc1Nc1nc(C(O)CO)cs1.
What is the InChIKey of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is VTENOPNFKIVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S2.2C21H20N6O3S2.C21H19N5O3S2.C17H19N5O4S2/c1-13-19(6-8-25-28-13)31-20-9-15(33-14(2)16-5-3-4-7-23-16)10-24-21(20)27-22-26-17(12-32-22)18(30)11-29;1-12-17(5-7-24-27-12)30-18-8-14(32-19-4-3-6-22-13(19)2)9-23-20(18)26-21-25-15(11-31-21)16(29)10-28;1-13-18(5-7-24-27-13)30-19-8-15(31-11-14-4-2-3-6-22-14)9-23-20(19)26-21-25-16(12-32-21)17(29)10-28;1-13-18(7-8-23-26-13)29-19-9-15(31-14-5-3-2-4-6-14)10-22-20(19)25-21-24-16(12-30-21)17(28)11-27;1-10-14(2-3-19-22-10)26-15-6-11(27-5-4-23)7-18-16(15)21-17-20-12(9-28-17)13(25)8-24/h3-10,12,14,18,29-30H,11H2,1-2H3,(H,24,26,27);3-9,11,16,28-29H,10H2,1-2H3,(H,23,25,26);2-9,12,17,28-29H,10-11H2,1H3,(H,23,25,26);2-10,12,17,27-28H,11H2,1H3,(H,22,24,25);2-3,6-7,9,13,23-25H,4-5,8H2,1H3,(H,18,20,21).
What are the key properties of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 2294.77 g/mol, XLogP of 19.02, 43 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(3-methylpyridazin-4-yl)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;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-phenylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(1-pyridin-2-ylethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylpyridazin-4-yl)oxy-5-(pyridin-2-ylmethylsulfanyl)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 161392643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).