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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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

C168H148ClN29O3S9 — CID 160881763

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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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

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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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 (PubChem CID 160881763) has the molecular formula C168H148ClN29O3S9 and a molecular weight of 2945.29 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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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.

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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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
• PubChem CID: 160881763
• Molecular Formula: C168H148ClN29O3S9
• Molecular Weight: 2945.29 g/mol
• Exact Mass: 2941.95
• 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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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
• SMILES: CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cccnc1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cnc(N2CCc3ccccc3C2)s1)c1c[nH]c2ccccc12.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.[C-]#[N+]c1ccc2c(c1)CN(c1ncc(Cc3cccc(-n4cccc4)c3)s1)CC2.c1ccc2c(c1)CCN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)C2.c1ccc2c(c1)CCN(c1ncc(Cc3ccc4nccnc4c3)s1)C2
• InChI: InChI=1S/C24H20N4S.C22H20N4OS.C22H20N4S.C22H21N3S.C21H18N4OS.C21H18N4S.C19H19N3S.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;1-2-5-19-16-25(13-10-18(19)4-1)22-23-15-21(27-22)14-17-6-8-20(9-7-17)26-12-3-11-24-26;1-15(19-12-23-20-9-5-4-8-18(19)20)21-13-24-22(26-21)25-11-10-16-6-2-3-7-17(16)14-25;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;1-14(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;1-17(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;1-9,11-12,15H,10,13-14,16H2;2-9,12-13,15,23H,10-11,14H2,1H3;1-6,8-9,11-12,20,26H,7,10,13H2;1-6,8-9,12-13H,7,10-11,14H2;2-7,9,11-12,14H,8,10,13H2,1H3;2-9,22H,1H3
• InChIKey: SNCYDUCTOJJKGX-UHFFFAOYSA-N
• XLogP: 36.31
• TPSA: 345.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2945.29
LogP ≤ 5	36.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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?

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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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 (CID 160881763) 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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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.

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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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?

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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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 is CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cccnc1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cnc(N2CCc3ccccc3C2)s1)c1c[nH]c2ccccc12.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.[C-]#[N+]c1ccc2c(c1)CN(c1ncc(Cc3cccc(-n4cccc4)c3)s1)CC2.c1ccc2c(c1)CCN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)C2.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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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?

The InChIKey is SNCYDUCTOJJKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4S.C22H20N4OS.C22H20N4S.C22H21N3S.C21H18N4OS.C21H18N4S.C19H19N3S.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;1-2-5-19-16-25(13-10-18(19)4-1)22-23-15-21(27-22)14-17-6-8-20(9-7-17)26-12-3-11-24-26;1-15(19-12-23-20-9-5-4-8-18(19)20)21-13-24-22(26-21)25-11-10-16-6-2-3-7-17(16)14-25;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;1-14(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;1-17(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;1-9,11-12,15H,10,13-14,16H2;2-9,12-13,15,23H,10-11,14H2,1H3;1-6,8-9,11-12,20,26H,7,10,13H2;1-6,8-9,12-13H,7,10-11,14H2;2-7,9,11-12,14H,8,10,13H2,1H3;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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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?

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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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 has a molecular weight of 2945.29 g/mol, XLogP of 36.31, 26 rotatable bonds, 4 hydrogen bond donors, and 39 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-(1H-indol-3-yl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole;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 is sourced from PubChem (CID 160881763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).