1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine

C162H149ClN28O5S9 — CID 159734038

About 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine

1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 159734038) has the molecular formula C162H149ClN28O5S9 and a molecular weight of 2892.22 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

• Compound Name: 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine
• PubChem CID: 159734038
• Molecular Formula: C162H149ClN28O5S9
• Molecular Weight: 2892.22 g/mol
• Exact Mass: 2888.94
• IUPAC Name: 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine
• SMILES: CC(C)OC1CN(c2ncc(Cc3cccc(-n4cccc4)c3)s2)C1.CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cccnc1)c1cnc(N2CCc3ccccc3C2)s1.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.[C-]#[N+]c1ccc2c(c1)CN(c1ncc(Cc3cccc(-n4cccc4)c3)s1)CC2.c1cc(Cc2cnc(N3CCOCC3)s2)cc(-n2cccc2)c1.c1ccc2c(c1)CCN(c1ncc(Cc3ccc4nccnc4c3)s1)C2
• InChI: InChI=1S/C24H20N4S.C22H20N4OS.C21H18N4OS.C21H18N4S.C20H23N3OS.C19H19N3S.C18H19N3OS.C17H12ClN3OS2/c1-25-21-8-7-19-9-12-28(17-20(19)15-21)24-26-16-23(29-24)14-18-5-4-6-22(13-18)27-10-2-3-11-27;1-22(27,17-6-7-18-19(12-17)24-10-9-23-18)20-13-25-21(28-20)26-11-8-15-4-2-3-5-16(15)14-26;26-20(15-5-6-17-18(11-15)23-9-8-22-17)19-12-24-21(27-19)25-10-7-14-3-1-2-4-16(14)13-25;1-2-4-17-14-25(10-7-16(17)3-1)21-24-13-18(26-21)11-15-5-6-19-20(12-15)23-9-8-22-19;1-15(2)24-18-13-23(14-18)20-21-12-19(25-20)11-16-6-5-7-17(10-16)22-8-3-4-9-22;1-14(16-7-4-9-20-11-16)18-12-21-19(23-18)22-10-8-15-5-2-3-6-17(15)13-22;1-2-7-20(6-1)16-5-3-4-15(12-16)13-17-14-19-18(23-17)21-8-10-22-11-9-21;1-17(22,10-2-3-11-12(8-10)20-7-6-19-11)14-9-21-16(24-14)13-4-5-15(18)23-13/h2-8,10-11,13,15-16H,9,12,14,17H2;2-7,9-10,12-13,27H,8,11,14H2,1H3;1-6,8-9,11-12,20,26H,7,10,13H2;1-6,8-9,12-13H,7,10-11,14H2;3-10,12,15,18H,11,13-14H2,1-2H3;2-7,9,11-12,14H,8,10,13H2,1H3;1-7,12,14H,8-11,13H2;2-9,22H,1H3
• InChIKey: NBPJFZWCQTWVJF-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 340.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2892.22
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine?

The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine (CID 159734038) is 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine.

What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine?

The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine is CC(C)OC1CN(c2ncc(Cc3cccc(-n4cccc4)c3)s2)C1.CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cccnc1)c1cnc(N2CCc3ccccc3C2)s1.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.[C-]#[N+]c1ccc2c(c1)CN(c1ncc(Cc3cccc(-n4cccc4)c3)s1)CC2.c1cc(Cc2cnc(N3CCOCC3)s2)cc(-n2cccc2)c1.c1ccc2c(c1)CCN(c1ncc(Cc3ccc4nccnc4c3)s1)C2.

What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine?

The InChIKey is NBPJFZWCQTWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4S.C22H20N4OS.C21H18N4OS.C21H18N4S.C20H23N3OS.C19H19N3S.C18H19N3OS.C17H12ClN3OS2/c1-25-21-8-7-19-9-12-28(17-20(19)15-21)24-26-16-23(29-24)14-18-5-4-6-22(13-18)27-10-2-3-11-27;1-22(27,17-6-7-18-19(12-17)24-10-9-23-18)20-13-25-21(28-20)26-11-8-15-4-2-3-5-16(15)14-26;26-20(15-5-6-17-18(11-15)23-9-8-22-17)19-12-24-21(27-19)25-10-7-14-3-1-2-4-16(14)13-25;1-2-4-17-14-25(10-7-16(17)3-1)21-24-13-18(26-21)11-15-5-6-19-20(12-15)23-9-8-22-19;1-15(2)24-18-13-23(14-18)20-21-12-19(25-20)11-16-6-5-7-17(10-16)22-8-3-4-9-22;1-14(16-7-4-9-20-11-16)18-12-21-19(23-18)22-10-8-15-5-2-3-6-17(15)13-22;1-2-7-20(6-1)16-5-3-4-15(12-16)13-17-14-19-18(23-17)21-8-10-22-11-9-21;1-17(22,10-2-3-11-12(8-10)20-7-6-19-11)14-9-21-16(24-14)13-4-5-15(18)23-13/h2-8,10-11,13,15-16H,9,12,14,17H2;2-7,9-10,12-13,27H,8,11,14H2,1H3;1-6,8-9,11-12,20,26H,7,10,13H2;1-6,8-9,12-13H,7,10-11,14H2;3-10,12,15,18H,11,13-14H2,1-2H3;2-7,9,11-12,14H,8,10,13H2,1H3;1-7,12,14H,8-11,13H2;2-9,22H,1H3.

What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine?

1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 2892.22 g/mol, XLogP of 33.99, 29 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-3-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(quinoxalin-6-ylmethyl)-1,3-thiazole;1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-1-quinoxalin-6-ylethanol;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]-quinoxalin-6-ylmethanol;2-(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;2-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 159734038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).