1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C121H114Cl3N27O20S8 — CID 157484714

About 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 157484714) has the molecular formula C121H114Cl3N27O20S8 and a molecular weight of 2629.31 g/mol. Its IUPAC name is 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

• Compound Name: 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• PubChem CID: 157484714
• Molecular Formula: C121H114Cl3N27O20S8
• Molecular Weight: 2629.31 g/mol
• Exact Mass: 2625.56
• IUPAC Name: 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• SMILES: Cc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccnc2C)c1.Cc1ncccc1Oc1cc(Cl)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Oc2ccccc2Cl)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SC(C)c2ccccc2Cl)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccnc2C)c1.Cc1nnccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1
• InChI: InChI=1S/C24H23ClN4O3S2.C22H19ClN4O4S.C22H21N5O4S.C20H18N6O3S2.C17H18N4O3S.C16H15ClN4O3S/c1-14-21(8-5-9-26-14)32-22-10-16(34-15(2)17-6-3-4-7-18(17)25)11-27-23(22)29-24-28-19(13-33-24)20(31)12-30;1-13-18(7-4-8-24-13)31-20-9-14(30-19-6-3-2-5-15(19)23)10-25-21(20)27-22-26-16(12-32-22)17(29)11-28;1-13-18(5-3-7-23-13)30-15-9-20(31-19-6-4-8-24-14(19)2)21(25-10-15)27-22-26-16(12-32-22)17(29)11-28;1-12-16(5-7-23-26-12)29-17-8-13(31-18-4-2-3-6-21-18)9-22-19(17)25-20-24-14(11-30-20)15(28)10-27;1-10-6-15(24-14-4-3-5-18-11(14)2)16(19-7-10)21-17-20-12(9-25-17)13(23)8-22;1-9-13(3-2-4-18-9)24-14-5-10(17)6-19-15(14)21-16-20-11(8-25-16)12(23)7-22/h3-11,13,15,20,30-31H,12H2,1-2H3,(H,27,28,29);2-10,12,17,28-29H,11H2,1H3,(H,25,26,27);3-10,12,17,28-29H,11H2,1-2H3,(H,25,26,27);2-9,11,15,27-28H,10H2,1H3,(H,22,24,25);3-7,9,13,22-23H,8H2,1-2H3,(H,19,20,21);2-6,8,12,22-23H,7H2,1H3,(H,19,20,21)
• InChIKey: BWONAHCNZSZENA-UHFFFAOYSA-N
• XLogP: 26.17
• TPSA: 659.47 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 55
• Rotatable Bonds: 45
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2629.31
LogP ≤ 5	26.17
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The IUPAC name of 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 157484714) is 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

What is the SMILES notation for 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The canonical SMILES for 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccnc2C)c1.Cc1ncccc1Oc1cc(Cl)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(Oc2ccccc2Cl)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SC(C)c2ccccc2Cl)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2cccnc2C)c1.Cc1nnccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.

What is the InChIKey of 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The InChIKey is BWONAHCNZSZENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S2.C22H19ClN4O4S.C22H21N5O4S.C20H18N6O3S2.C17H18N4O3S.C16H15ClN4O3S/c1-14-21(8-5-9-26-14)32-22-10-16(34-15(2)17-6-3-4-7-18(17)25)11-27-23(22)29-24-28-19(13-33-24)20(31)12-30;1-13-18(7-4-8-24-13)31-20-9-14(30-19-6-3-2-5-15(19)23)10-25-21(20)27-22-26-16(12-32-22)17(29)11-28;1-13-18(5-3-7-23-13)30-15-9-20(31-19-6-4-8-24-14(19)2)21(25-10-15)27-22-26-16(12-32-22)17(29)11-28;1-12-16(5-7-23-26-12)29-17-8-13(31-18-4-2-3-6-21-18)9-22-19(17)25-20-24-14(11-30-20)15(28)10-27;1-10-6-15(24-14-4-3-5-18-11(14)2)16(19-7-10)21-17-20-12(9-25-17)13(23)8-22;1-9-13(3-2-4-18-9)24-14-5-10(17)6-19-15(14)21-16-20-11(8-25-16)12(23)7-22/h3-11,13,15,20,30-31H,12H2,1-2H3,(H,27,28,29);2-10,12,17,28-29H,11H2,1H3,(H,25,26,27);3-10,12,17,28-29H,11H2,1-2H3,(H,25,26,27);2-9,11,15,27-28H,10H2,1H3,(H,22,24,25);3-7,9,13,22-23H,8H2,1-2H3,(H,19,20,21);2-6,8,12,22-23H,7H2,1H3,(H,19,20,21).

What are the key properties of 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 2629.31 g/mol, XLogP of 26.17, 45 rotatable bonds, 18 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[3,5-bis[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-chloro-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-chlorophenoxy)-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[1-(2-chlorophenyl)ethylsulfanyl]-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 157484714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).