1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C101H101N19O12S8 — CID 158766097

About 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 158766097) has the molecular formula C101H101N19O12S8 and a molecular weight of 2029.58 g/mol. Its IUPAC name is 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• PubChem CID: 158766097
• Molecular Formula: C101H101N19O12S8
• Molecular Weight: 2029.58 g/mol
• Exact Mass: 2027.56
• IUPAC Name: 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• SMILES: CC(Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncccc32)c1)c1ccccn1.Cc1ncccc1Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncccc32)c1.OCC(O)c1csc(Nc2ncc(SCc3ccccn3)cc2OC2CCCc3ncccc32)n1.OCC(O)c1csc(Nc2ncc(Sc3ccccc3)cc2OC2CCCc3ncccc32)n1
• InChI: InChI=1S/C26H27N5O3S2.2C25H25N5O3S2.C25H24N4O3S2/c1-16(19-7-2-3-10-27-19)36-17-12-24(34-23-9-4-8-20-18(23)6-5-11-28-20)25(29-13-17)31-26-30-21(15-35-26)22(33)14-32;1-15-23(8-4-9-26-15)35-16-11-22(33-21-7-2-6-18-17(21)5-3-10-27-18)24(28-12-16)30-25-29-19(14-34-25)20(32)13-31;31-13-21(32)20-15-35-25(29-20)30-24-23(33-22-8-3-7-19-18(22)6-4-10-27-19)11-17(12-28-24)34-14-16-5-1-2-9-26-16;30-14-21(31)20-15-33-25(28-20)29-24-23(12-17(13-27-24)34-16-6-2-1-3-7-16)32-22-10-4-9-19-18(22)8-5-11-26-19/h2-3,5-7,10-13,15-16,22-23,32-33H,4,8-9,14H2,1H3,(H,29,30,31);3-5,8-12,14,20-21,31-32H,2,6-7,13H2,1H3,(H,28,29,30);1-2,4-6,9-12,15,21-22,31-32H,3,7-8,13-14H2,(H,28,29,30);1-3,5-8,11-13,15,21-22,30-31H,4,9-10,14H2,(H,27,28,29)
• InChIKey: IPGXBBHDFSHVKE-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 440.23 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 34
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2029.58
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 158766097) is 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is CC(Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncccc32)c1)c1ccccn1.Cc1ncccc1Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncccc32)c1.OCC(O)c1csc(Nc2ncc(SCc3ccccn3)cc2OC2CCCc3ncccc32)n1.OCC(O)c1csc(Nc2ncc(Sc3ccccc3)cc2OC2CCCc3ncccc32)n1.

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

The InChIKey is IPGXBBHDFSHVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S2.2C25H25N5O3S2.C25H24N4O3S2/c1-16(19-7-2-3-10-27-19)36-17-12-24(34-23-9-4-8-20-18(23)6-5-11-28-20)25(29-13-17)31-26-30-21(15-35-26)22(33)14-32;1-15-23(8-4-9-26-15)35-16-11-22(33-21-7-2-6-18-17(21)5-3-10-27-18)24(28-12-16)30-25-29-19(14-34-25)20(32)13-31;31-13-21(32)20-15-35-25(29-20)30-24-23(33-22-8-3-7-19-18(22)6-4-10-27-19)11-17(12-28-24)34-14-16-5-1-2-9-26-16;30-14-21(31)20-15-33-25(28-20)29-24-23(12-17(13-27-24)34-16-6-2-1-3-7-16)32-22-10-4-9-19-18(22)8-5-11-26-19/h2-3,5-7,10-13,15-16,22-23,32-33H,4,8-9,14H2,1H3,(H,29,30,31);3-5,8-12,14,20-21,31-32H,2,6-7,13H2,1H3,(H,28,29,30);1-2,4-6,9-12,15,21-22,31-32H,3,7-8,13-14H2,(H,28,29,30);1-3,5-8,11-13,15,21-22,30-31H,4,9-10,14H2,(H,27,28,29).

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

1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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 2029.58 g/mol, XLogP of 20.58, 34 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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 158766097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).