5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C117H165N27O4S8 — CID 158711166

About 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 158711166) has the molecular formula C117H165N27O4S8 and a molecular weight of 2270.33 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
• PubChem CID: 158711166
• Molecular Formula: C117H165N27O4S8
• Molecular Weight: 2270.33 g/mol
• Exact Mass: 2268.13
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCc2nc(N3CCC(N4CCCCC4)CC3)sc2C1.CC(C)N1CCN(c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1.CCN1CCN(c2nc3c(s2)CN(Cc2ccccc2)CC3)CC1.CCN1CCN(c2nc3c(s2)CN(c2ccc4ccccc4n2)CC3)CC1.CCN1CCN(c2nc3c(s2)CN(c2nc4ccccc4s2)CC3)CC1.c1csc(N2CCc3nc(N4CCC(N5CCCCC5)CC4)sc3C2)n1
• InChI: InChI=1S/C21H25N5S.C21H34N4O2S.C19H23N5S2.C19H27N5S2.C19H26N4S.C18H30N4O2S/c1-2-24-11-13-25(14-12-24)21-23-18-9-10-26(15-19(18)27-21)20-8-7-16-5-3-4-6-17(16)22-20;1-21(2,3)27-20(26)25-14-9-17-18(15-25)28-19(22-17)24-12-7-16(8-13-24)23-10-5-4-6-11-23;1-2-22-9-11-23(12-10-22)18-21-15-7-8-24(13-17(15)26-18)19-20-14-5-3-4-6-16(14)25-19;1-2-8-22(9-3-1)15-4-10-23(11-5-15)19-21-16-6-12-24(14-17(16)26-19)18-20-7-13-25-18;1-2-21-10-12-23(13-11-21)19-20-17-8-9-22(15-18(17)24-19)14-16-6-4-3-5-7-16;1-13(2)20-8-10-21(11-9-20)16-19-14-6-7-22(12-15(14)25-16)17(23)24-18(3,4)5/h3-8H,2,9-15H2,1H3;16H,4-15H2,1-3H3;3-6H,2,7-13H2,1H3;7,13,15H,1-6,8-12,14H2;3-7H,2,8-15H2,1H3;13H,6-12H2,1-5H3
• InChIKey: IISSRHBZTOYNTB-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 226.93 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.33
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?

The IUPAC name of 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 158711166) is 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?

The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CC(C)(C)OC(=O)N1CCc2nc(N3CCC(N4CCCCC4)CC3)sc2C1.CC(C)N1CCN(c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1.CCN1CCN(c2nc3c(s2)CN(Cc2ccccc2)CC3)CC1.CCN1CCN(c2nc3c(s2)CN(c2ccc4ccccc4n2)CC3)CC1.CCN1CCN(c2nc3c(s2)CN(c2nc4ccccc4s2)CC3)CC1.c1csc(N2CCc3nc(N4CCC(N5CCCCC5)CC4)sc3C2)n1.

What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?

The InChIKey is IISSRHBZTOYNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S.C21H34N4O2S.C19H23N5S2.C19H27N5S2.C19H26N4S.C18H30N4O2S/c1-2-24-11-13-25(14-12-24)21-23-18-9-10-26(15-19(18)27-21)20-8-7-16-5-3-4-6-17(16)22-20;1-21(2,3)27-20(26)25-14-9-17-18(15-25)28-19(22-17)24-12-7-16(8-13-24)23-10-5-4-6-11-23;1-2-22-9-11-23(12-10-22)18-21-15-7-8-24(13-17(15)26-18)19-20-14-5-3-4-6-16(14)25-19;1-2-8-22(9-3-1)15-4-10-23(11-5-15)19-21-16-6-12-24(14-17(16)26-19)18-20-7-13-25-18;1-2-21-10-12-23(13-11-21)19-20-17-8-9-22(15-18(17)24-19)14-16-6-4-3-5-7-16;1-13(2)20-8-10-21(11-9-20)16-19-14-6-7-22(12-15(14)25-16)17(23)24-18(3,4)5/h3-8H,2,9-15H2,1H3;16H,4-15H2,1-3H3;3-6H,2,7-13H2,1H3;7,13,15H,1-6,8-12,14H2;3-7H,2,8-15H2,1H3;13H,6-12H2,1-5H3.

What are the key properties of 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?

5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 2270.33 g/mol, XLogP of 20.17, 17 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-2-yl)-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-benzyl-2-(4-ethylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;tert-butyl 2-(4-piperidin-1-ylpiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;tert-butyl 2-(4-propan-2-ylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;2-(4-ethylpiperazin-1-yl)-5-quinolin-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 158711166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).