2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol

C59H66N20O3S6 — CID 163772379

About 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol

2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol (PubChem CID 163772379) has the molecular formula C59H66N20O3S6 and a molecular weight of 1295.72 g/mol. Its IUPAC name is 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol
• PubChem CID: 163772379
• Molecular Formula: C59H66N20O3S6
• Molecular Weight: 1295.72 g/mol
• Exact Mass: 1294.40
• IUPAC Name: 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol
• SMILES: CCN(c1nc2sc(-c3ncc(-c4cn[nH]c4)cc3O)nc2s1)C1CCNCC1.CCN1CCC(N(C)c2nc3sc(-c4ccc(-c5cnn(C)c5)cc4O)nc3s2)CC1.CN(c1nc2sc(-c3ncc(-n4ccnc4)cc3O)nc2s1)C1CCNCC1
• InChI: InChI=1S/C22H26N6OS2.C19H21N7OS2.C18H19N7OS2/c1-4-28-9-7-16(8-10-28)27(3)22-25-21-20(31-22)24-19(30-21)17-6-5-14(11-18(17)29)15-12-23-26(2)13-15;1-2-26(13-3-5-20-6-4-13)19-25-18-17(29-19)24-16(28-18)15-14(27)7-11(8-21-15)12-9-22-23-10-12;1-24(11-2-4-19-5-3-11)18-23-17-16(28-18)22-15(27-17)14-13(26)8-12(9-21-14)25-7-6-20-10-25/h5-6,11-13,16,29H,4,7-10H2,1-3H3;7-10,13,20,27H,2-6H2,1H3,(H,22,23);6-11,19,26H,2-5H2,1H3
• InChIKey: MHNVEMCEMMKUAH-UHFFFAOYSA-N
• XLogP: 10.83
• TPSA: 265.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1295.72
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol?

The IUPAC name of 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol (CID 163772379) is 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol.

What is the SMILES notation for 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol?

The canonical SMILES for 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol is CCN(c1nc2sc(-c3ncc(-c4cn[nH]c4)cc3O)nc2s1)C1CCNCC1.CCN1CCC(N(C)c2nc3sc(-c4ccc(-c5cnn(C)c5)cc4O)nc3s2)CC1.CN(c1nc2sc(-c3ncc(-n4ccnc4)cc3O)nc2s1)C1CCNCC1.

What is the InChIKey of 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol?

The InChIKey is MHNVEMCEMMKUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS2.C19H21N7OS2.C18H19N7OS2/c1-4-28-9-7-16(8-10-28)27(3)22-25-21-20(31-22)24-19(30-21)17-6-5-14(11-18(17)29)15-12-23-26(2)13-15;1-2-26(13-3-5-20-6-4-13)19-25-18-17(29-19)24-16(28-18)15-14(27)7-11(8-21-15)12-9-22-23-10-12;1-24(11-2-4-19-5-3-11)18-23-17-16(28-18)22-15(27-17)14-13(26)8-12(9-21-14)25-7-6-20-10-25/h5-6,11-13,16,29H,4,7-10H2,1-3H3;7-10,13,20,27H,2-6H2,1H3,(H,22,23);6-11,19,26H,2-5H2,1H3.

What are the key properties of 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol?

2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol has a molecular weight of 1295.72 g/mol, XLogP of 10.83, 14 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[ethyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;2-[5-[(1-ethylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol;5-imidazol-1-yl-2-[5-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 163772379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).