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

C134H130N30O18S12 — CID 159758217

IUPAC2-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
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(CO)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(CO)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)O)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)O)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CCO)cs1
InChIInChI=1S/2C23H23N5O3S2.4C22H21N5O3S2/c1-14-17(7-6-10-24-14)31-18-11-15(33-19-8-4-5-9-25-19)12-26-21(18)28-22-27-16(13-32-22)20(29)23(2,3)30;1-15-17(6-5-9-24-15)31-18-10-16(33-20-7-3-4-8-25-20)11-26-21(18)28-22-27-19(12-32-22)23(2,13-29)14-30;1-14-16(6-5-9-23-14)30-17-10-15(32-19-7-3-4-8-24-19)11-25-20(17)27-21-26-18(12-31-21)22(2,29)13-28;1-13-17(6-5-9-23-13)30-18-10-15(32-19-7-3-4-8-24-19)11-25-21(18)27-22-26-16(12-31-22)20(29)14(2)28;1-14-18(5-4-9-23-14)30-19-11-15(32-20-6-2-3-8-24-20)12-25-21(19)27-22-26-16(13-31-22)17(29)7-10-28;1-14-18(5-4-8-23-14)30-19-9-16(32-20-6-2-3-7-24-20)10-25-21(19)27-22-26-17(13-31-22)15(11-28)12-29/h4-13,20,29-30H,1-3H3,(H,26,27,28);3-12,29-30H,13-14H2,1-2H3,(H,26,27,28);3-12,28-29H,13H2,1-2H3,(H,25,26,27);3-12,14,20,28-29H,1-2H3,(H,25,26,27);2-6,8-9,11-13,17,28-29H,7,10H2,1H3,(H,25,26,27);2-10,13,15,28-29H,11-12H2,1H3,(H,25,26,27)
InChIKeyNENRVOVKKMWGTG-UHFFFAOYSA-N
MW2833.51 g/mol
LogP28.09
Rot. Bonds51

About 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

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 (PubChem CID 159758217) has the molecular formula C134H130N30O18S12 and a molecular weight of 2833.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159758217
Molecular FormulaC134H130N30O18S12
Molecular Weight2833.51 g/mol
Exact Mass2830.68
IUPAC Name2-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
SMILESCc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(CO)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(CO)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)O)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)O)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CCO)cs1
InChIInChI=1S/2C23H23N5O3S2.4C22H21N5O3S2/c1-14-17(7-6-10-24-14)31-18-11-15(33-19-8-4-5-9-25-19)12-26-21(18)28-22-27-16(13-32-22)20(29)23(2,3)30;1-15-17(6-5-9-24-15)31-18-10-16(33-20-7-3-4-8-25-20)11-26-21(18)28-22-27-19(12-32-22)23(2,13-29)14-30;1-14-16(6-5-9-23-14)30-17-10-15(32-19-7-3-4-8-24-19)11-25-20(17)27-21-26-18(12-31-21)22(2,29)13-28;1-13-17(6-5-9-23-13)30-18-10-15(32-19-7-3-4-8-24-19)11-25-21(18)27-22-26-16(12-31-22)20(29)14(2)28;1-14-18(5-4-9-23-14)30-19-11-15(32-20-6-2-3-8-24-20)12-25-21(19)27-22-26-16(13-31-22)17(29)7-10-28;1-14-18(5-4-8-23-14)30-19-9-16(32-20-6-2-3-7-24-20)10-25-21(19)27-22-26-17(13-31-22)15(11-28)12-29/h4-13,20,29-30H,1-3H3,(H,26,27,28);3-12,29-30H,13-14H2,1-2H3,(H,26,27,28);3-12,28-29H,13H2,1-2H3,(H,25,26,27);3-12,14,20,28-29H,1-2H3,(H,25,26,27);2-6,8-9,11-13,17,28-29H,7,10H2,1H3,(H,25,26,27);2-10,13,15,28-29H,11-12H2,1H3,(H,25,26,27)
InChIKeyNENRVOVKKMWGTG-UHFFFAOYSA-N
XLogP28.09
TPSA679.68 Ų
H-Bond Donors18
H-Bond Acceptors60
Rotatable Bonds51
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002833.51
LogP ≤ 528.09
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1060

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
CID 59443627
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
CID 59443628
2-[2-[[3-[(2-Methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol
CID 59443633
1-[2-[[3-[(2-Methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol
CID 59443635
3-[2-[[3-[(2-Methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol
CID 59443642
1-[2-[[3-[(2-Methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,2-diol
CID 59443647
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 59443649
3-Methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-2,3-diol
CID 59443653
2-[2-[2-[[3-[(2-Methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propan-2-yl]propane-1,3-diol
CID 59443661
1-[2-[[3-[(2,4-Dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443666
2,2-Dimethyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]propane-1,3-diol
CID 59443673
1-[2-[[3-[(2,6-Dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 59443678

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(CO)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(CO)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)O)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)O)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CCO)cs1.
What is the InChIKey of 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?
The InChIKey is NENRVOVKKMWGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N5O3S2.4C22H21N5O3S2/c1-14-17(7-6-10-24-14)31-18-11-15(33-19-8-4-5-9-25-19)12-26-21(18)28-22-27-16(13-32-22)20(29)23(2,3)30;1-15-17(6-5-9-24-15)31-18-10-16(33-20-7-3-4-8-25-20)11-26-21(18)28-22-27-19(12-32-22)23(2,13-29)14-30;1-14-16(6-5-9-23-14)30-17-10-15(32-19-7-3-4-8-24-19)11-25-20(17)27-21-26-18(12-31-21)22(2,29)13-28;1-13-17(6-5-9-23-13)30-18-10-15(32-19-7-3-4-8-24-19)11-25-21(18)27-22-26-16(12-31-22)20(29)14(2)28;1-14-18(5-4-9-23-14)30-19-11-15(32-20-6-2-3-8-24-20)12-25-21(19)27-22-26-16(13-31-22)17(29)7-10-28;1-14-18(5-4-8-23-14)30-19-9-16(32-20-6-2-3-7-24-20)10-25-21(19)27-22-26-17(13-31-22)15(11-28)12-29/h4-13,20,29-30H,1-3H3,(H,26,27,28);3-12,29-30H,13-14H2,1-2H3,(H,26,27,28);3-12,28-29H,13H2,1-2H3,(H,25,26,27);3-12,14,20,28-29H,1-2H3,(H,25,26,27);2-6,8-9,11-13,17,28-29H,7,10H2,1H3,(H,25,26,27);2-10,13,15,28-29H,11-12H2,1H3,(H,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 2833.51 g/mol, XLogP of 28.09, 51 rotatable bonds, 18 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159758217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).