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

C97H98ClN25O17S7 — CID 162048814

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

1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 162048814) has the molecular formula C97H98ClN25O17S7 and a molecular weight of 2145.93 g/mol. Its IUPAC name is 1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

• Compound Name: 1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• PubChem CID: 162048814
• Molecular Formula: C97H98ClN25O17S7
• Molecular Weight: 2145.93 g/mol
• Exact Mass: 2143.53
• IUPAC Name: 1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-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(Oc2ccnnc2C)c1.Cc1ncccc1Oc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2ccnnc2C)c1.Cc1nnccc1Oc1cc(Cl)cnc1Nc1nc(C(O)CO)cs1.OCC(O)c1csc(Nc2ncc(Sc3ccccn3)cc2OC2CCCc3ncccc32)n1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncccc32)c1
• InChI: InChI=1S/C24H23N5O3S2.C21H20N6O4S.C21H24N4O4S2.C16H17N5O3S.C15H14ClN5O3S/c30-13-19(31)18-14-33-24(28-18)29-23-21(11-15(12-27-23)34-22-8-1-2-9-26-22)32-20-7-3-6-17-16(20)5-4-10-25-17;1-12-17(4-3-6-22-12)30-14-8-19(31-18-5-7-24-27-13(18)2)20(23-9-14)26-21-25-15(11-32-21)16(29)10-28;26-7-8-30-13-9-19(29-18-5-1-4-15-14(18)3-2-6-22-15)20(23-10-13)25-21-24-16(12-31-21)17(28)11-27;1-9-5-14(24-13-3-4-18-21-10(13)2)15(17-6-9)20-16-19-11(8-25-16)12(23)7-22;1-8-12(2-3-18-21-8)24-13-4-9(16)5-17-14(13)20-15-19-10(7-25-15)11(23)6-22/h1-2,4-5,8-12,14,19-20,30-31H,3,6-7,13H2,(H,27,28,29);3-9,11,16,28-29H,10H2,1-2H3,(H,23,25,26);2-3,6,9-10,12,17-18,26-28H,1,4-5,7-8,11H2,(H,23,24,25);3-6,8,12,22-23H,7H2,1-2H3,(H,17,19,20);2-5,7,11,22-23H,6H2,1H3,(H,17,19,20)
• InChIKey: YYGRJAHLKHSKDM-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 595.86 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 49
• Rotatable Bonds: 37
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.93
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

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

The IUPAC name of 1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 162048814) is 1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-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 1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The canonical SMILES for 1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-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(Oc2ccnnc2C)c1.Cc1ncccc1Oc1cnc(Nc2nc(C(O)CO)cs2)c(Oc2ccnnc2C)c1.Cc1nnccc1Oc1cc(Cl)cnc1Nc1nc(C(O)CO)cs1.OCC(O)c1csc(Nc2ncc(Sc3ccccn3)cc2OC2CCCc3ncccc32)n1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncccc32)c1.

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

The InChIKey is YYGRJAHLKHSKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S2.C21H20N6O4S.C21H24N4O4S2.C16H17N5O3S.C15H14ClN5O3S/c30-13-19(31)18-14-33-24(28-18)29-23-21(11-15(12-27-23)34-22-8-1-2-9-26-22)32-20-7-3-6-17-16(20)5-4-10-25-17;1-12-17(4-3-6-22-12)30-14-8-19(31-18-5-7-24-27-13(18)2)20(23-9-14)26-21-25-15(11-32-21)16(29)10-28;26-7-8-30-13-9-19(29-18-5-1-4-15-14(18)3-2-6-22-15)20(23-10-13)25-21-24-16(12-31-21)17(28)11-27;1-9-5-14(24-13-3-4-18-21-10(13)2)15(17-6-9)20-16-19-11(8-25-16)12(23)7-22;1-8-12(2-3-18-21-8)24-13-4-9(16)5-17-14(13)20-15-19-10(7-25-15)11(23)6-22/h1-2,4-5,8-12,14,19-20,30-31H,3,6-7,13H2,(H,27,28,29);3-9,11,16,28-29H,10H2,1-2H3,(H,23,25,26);2-3,6,9-10,12,17-18,26-28H,1,4-5,7-8,11H2,(H,23,24,25);3-6,8,12,22-23H,7H2,1-2H3,(H,17,19,20);2-5,7,11,22-23H,6H2,1H3,(H,17,19,20).

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

1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-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 2145.93 g/mol, XLogP of 17.00, 37 rotatable bonds, 16 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-chloro-3-(3-methylpyridazin-4-yl)oxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-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)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-pyridin-2-ylsulfanyl-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 162048814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).