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

C104H114N22O18S10 — CID 159189323

About 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

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 (PubChem CID 159189323) has the molecular formula C104H114N22O18S10 and a molecular weight of 2280.86 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159189323
• Molecular Formula: C104H114N22O18S10
• Molecular Weight: 2280.86 g/mol
• Exact Mass: 2278.59
• IUPAC Name: 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
• SMILES: Cc1ncccc1Oc1cc(SC(C)(C)CO)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SCC(C)(C)O)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SCC(C)O)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SCc2ccccn2)cnc1Nc1nc(C(O)CO)cs1
• InChI: InChI=1S/C23H23N5O3S2.C22H21N5O3S2.2C20H24N4O4S2.C19H22N4O4S2/c1-14-20(7-5-9-24-14)31-21-10-16(33-15(2)17-6-3-4-8-25-17)11-26-22(21)28-23-27-18(13-32-23)19(30)12-29;1-14-19(6-4-8-23-14)30-20-9-16(31-12-15-5-2-3-7-24-15)10-25-21(20)27-22-26-17(13-32-22)18(29)11-28;1-12-16(5-4-6-21-12)28-17-7-13(30-11-20(2,3)27)8-22-18(17)24-19-23-14(10-29-19)15(26)9-25;1-12-16(5-4-6-21-12)28-17-7-13(30-20(2,3)11-26)8-22-18(17)24-19-23-14(10-29-19)15(27)9-25;1-11(25)9-28-13-6-17(27-16-4-3-5-20-12(16)2)18(21-7-13)23-19-22-14(10-29-19)15(26)8-24/h3-11,13,15,19,29-30H,12H2,1-2H3,(H,26,27,28);2-10,13,18,28-29H,11-12H2,1H3,(H,25,26,27);2*4-8,10,15,25-27H,9,11H2,1-3H3,(H,22,23,24);3-7,10-11,15,24-26H,8-9H2,1-2H3,(H,21,22,23)
• InChIKey: KNWRLTHAJICABA-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 588.42 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 50
• Rotatable Bonds: 45
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2280.86
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ncccc1Oc1cc(SC(C)(C)CO)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SC(C)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SCC(C)(C)O)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SCC(C)O)cnc1Nc1nc(C(O)CO)cs1.Cc1ncccc1Oc1cc(SCc2ccccn2)cnc1Nc1nc(C(O)CO)cs1.

What is the InChIKey of 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?

The InChIKey is KNWRLTHAJICABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S2.C22H21N5O3S2.2C20H24N4O4S2.C19H22N4O4S2/c1-14-20(7-5-9-24-14)31-21-10-16(33-15(2)17-6-3-4-8-25-17)11-26-22(21)28-23-27-18(13-32-23)19(30)12-29;1-14-19(6-4-8-23-14)30-20-9-16(31-12-15-5-2-3-7-24-15)10-25-21(20)27-22-26-17(13-32-22)18(29)11-28;1-12-16(5-4-6-21-12)28-17-7-13(30-11-20(2,3)27)8-22-18(17)24-19-23-14(10-29-19)15(26)9-25;1-12-16(5-4-6-21-12)28-17-7-13(30-20(2,3)11-26)8-22-18(17)24-19-23-14(10-29-19)15(27)9-25;1-11(25)9-28-13-6-17(27-16-4-3-5-20-12(16)2)18(21-7-13)23-19-22-14(10-29-19)15(26)8-24/h3-11,13,15,19,29-30H,12H2,1-2H3,(H,26,27,28);2-10,13,18,28-29H,11-12H2,1H3,(H,25,26,27);2*4-8,10,15,25-27H,9,11H2,1-3H3,(H,22,23,24);3-7,10-11,15,24-26H,8-9H2,1-2H3,(H,21,22,23).

What are the key properties of 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?

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 has a molecular weight of 2280.86 g/mol, XLogP of 20.15, 45 rotatable bonds, 18 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159189323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).