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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C115H120N24O15S9 — CID 162179796

About 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 162179796) has the molecular formula C115H120N24O15S9 and a molecular weight of 2366.98 g/mol. Its IUPAC name is 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

• Compound Name: 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• PubChem CID: 162179796
• Molecular Formula: C115H120N24O15S9
• Molecular Weight: 2366.98 g/mol
• Exact Mass: 2364.69
• IUPAC Name: 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• SMILES: Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncccc32)c1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(C)C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(O)CCO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CC(C)(C)O)cs1
• InChI: InChI=1S/3C24H25N5O3S2.C23H23N5O3S2.C20H22N4O3S/c1-15-19(7-6-10-25-15)32-20-11-16(34-21-8-4-5-9-26-21)13-27-22(20)29-23-28-17(14-33-23)18(30)12-24(2,3)31;1-15-18(7-6-10-25-15)32-19-11-16(34-20-8-4-5-9-26-20)12-27-22(19)29-23-28-17(13-33-23)21(31)24(2,3)14-30;1-15-17(7-6-10-25-15)32-18-11-16(34-21-8-4-5-9-26-21)12-27-22(18)29-23-28-19(14-33-23)24(2,3)20(31)13-30;1-15-17(6-5-10-24-15)31-18-12-16(33-20-7-3-4-9-25-20)13-26-21(18)28-22-27-19(14-32-22)23(2,30)8-11-29;1-12-8-18(27-17-6-2-5-14-13(17)4-3-7-21-14)19(22-9-12)24-20-23-15(11-28-20)16(26)10-25/h4-11,13-14,18,30-31H,12H2,1-3H3,(H,27,28,29);4-13,21,30-31H,14H2,1-3H3,(H,27,28,29);4-12,14,20,30-31H,13H2,1-3H3,(H,27,28,29);3-7,9-10,12-14,29-30H,8,11H2,1-2H3,(H,26,27,28);3-4,7-9,11,16-17,25-26H,2,5-6,10H2,1H3,(H,22,23,24)
• InChIKey: ZOWFWEOALALKFU-UHFFFAOYSA-N
• XLogP: 24.23
• TPSA: 553.51 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 48
• Rotatable Bonds: 42
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.98
LogP ≤ 5	24.23
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The IUPAC name of 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 162179796) is 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

What is the SMILES notation for 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The canonical SMILES for 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncccc32)c1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(C)C(O)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(C)(O)CCO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)C(C)(C)CO)cs1.Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(C(O)CC(C)(C)O)cs1.

What is the InChIKey of 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The InChIKey is ZOWFWEOALALKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H25N5O3S2.C23H23N5O3S2.C20H22N4O3S/c1-15-19(7-6-10-25-15)32-20-11-16(34-21-8-4-5-9-26-21)13-27-22(20)29-23-28-17(14-33-23)18(30)12-24(2,3)31;1-15-18(7-6-10-25-15)32-19-11-16(34-20-8-4-5-9-26-20)12-27-22(19)29-23-28-17(13-33-23)21(31)24(2,3)14-30;1-15-17(7-6-10-25-15)32-18-11-16(34-21-8-4-5-9-26-21)12-27-22(18)29-23-28-19(14-33-23)24(2,3)20(31)13-30;1-15-17(6-5-10-24-15)31-18-12-16(33-20-7-3-4-9-25-20)13-26-21(18)28-22-27-19(14-32-22)23(2,30)8-11-29;1-12-8-18(27-17-6-2-5-14-13(17)4-3-7-21-14)19(22-9-12)24-20-23-15(11-28-20)16(26)10-25/h4-11,13-14,18,30-31H,12H2,1-3H3,(H,27,28,29);4-13,21,30-31H,14H2,1-3H3,(H,27,28,29);4-12,14,20,30-31H,13H2,1-3H3,(H,27,28,29);3-7,9-10,12-14,29-30H,8,11H2,1-2H3,(H,26,27,28);3-4,7-9,11,16-17,25-26H,2,5-6,10H2,1H3,(H,22,23,24).

What are the key properties of 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 2366.98 g/mol, XLogP of 24.23, 42 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 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;3-methyl-1-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;3-methyl-3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,2-diol;3-[2-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]butane-1,3-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 162179796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).