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

C60H66N12O9S3 — CID 158520185

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

1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 158520185) has the molecular formula C60H66N12O9S3 and a molecular weight of 1195.46 g/mol. Its IUPAC name is 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

• Compound Name: 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• PubChem CID: 158520185
• Molecular Formula: C60H66N12O9S3
• Molecular Weight: 1195.46 g/mol
• Exact Mass: 1194.42
• IUPAC Name: 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• SMILES: Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3cccnc32)c1.Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ccncc32)c1.Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3cnccc32)c1
• InChI: InChI=1S/3C20H22N4O3S/c1-12-8-17(27-16-6-2-4-13-5-3-7-21-18(13)16)19(22-9-12)24-20-23-14(11-28-20)15(26)10-25;1-12-7-18(27-17-4-2-3-13-9-21-6-5-14(13)17)19(22-8-12)24-20-23-15(11-28-20)16(26)10-25;1-12-7-18(27-17-4-2-3-13-5-6-21-9-14(13)17)19(22-8-12)24-20-23-15(11-28-20)16(26)10-25/h3,5,7-9,11,15-16,25-26H,2,4,6,10H2,1H3,(H,22,23,24);2*5-9,11,16-17,25-26H,2-4,10H2,1H3,(H,22,23,24)
• InChIKey: HMCVIWLMMYMNKS-UHFFFAOYSA-N
• XLogP: 10.40
• TPSA: 301.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1195.46
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 158520185) is 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

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

The canonical SMILES for 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3cccnc32)c1.Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ccncc32)c1.Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3cnccc32)c1.

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

The InChIKey is HMCVIWLMMYMNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H22N4O3S/c1-12-8-17(27-16-6-2-4-13-5-3-7-21-18(13)16)19(22-9-12)24-20-23-14(11-28-20)15(26)10-25;1-12-7-18(27-17-4-2-3-13-9-21-6-5-14(13)17)19(22-8-12)24-20-23-15(11-28-20)16(26)10-25;1-12-7-18(27-17-4-2-3-13-5-6-21-9-14(13)17)19(22-8-12)24-20-23-15(11-28-20)16(26)10-25/h3,5,7-9,11,15-16,25-26H,2,4,6,10H2,1H3,(H,22,23,24);2*5-9,11,16-17,25-26H,2-4,10H2,1H3,(H,22,23,24).

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

1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 1195.46 g/mol, XLogP of 10.40, 18 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroisoquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinolin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 158520185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).