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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile

C292H282ClN51O8S15 — CID 164956334

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile (PubChem CID 164956334) has the molecular formula C292H282ClN51O8S15 and a molecular weight of 5150.28 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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile.

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile
• PubChem CID: 164956334
• Molecular Formula: C292H282ClN51O8S15
• Molecular Weight: 5150.28 g/mol
• Exact Mass: 5144.87
• 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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile
• SMILES: C1=C(Cc2cccc(-n3cccc3)c2)SC(N2CCOCC2)C1.CC(C)OC1CN(c2ncc(Cc3cccc(-n4cccc4)c3)s2)C1.CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1ccc(-n2cccn2)cc1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cccc(-n2cccn2)c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cccnc1)c1cnc(N2CCc3ccccc3C2)s1.N#Cc1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.N#Cc1ccc2c(c1)CN(c1ncc(Cc3cccc(-n4cccc4)c3)s1)CC2.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.c1cc(Cc2cnc(N3CCC4OCCCC4C3)s2)cc(-n2cccc2)c1.c1ccc2c(c1)CCN(c1ncc(Cc3ccc4nccnc4c3)s1)C2.c1cnn(-c2ccc(Cc3cnc(N4CCC5OCCCC5C4)s3)cc2)c1.c1cnn(-c2ccc(Cc3cnc(N4CCOCC4)s3)cc2)c1
• InChI: InChI=1S/C24H20N4S.C23H19N5S.2C23H22N4S.C22H20N4OS.C22H25N3OS.C21H24N4OS.C21H18N4OS.C21H18N4S.C20H23N3OS.C19H19N3S.C19H22N2OS.C17H12ClN3OS2.C17H18N4OS/c25-15-19-6-7-20-8-11-28(17-21(20)12-19)24-26-16-23(29-24)14-18-4-3-5-22(13-18)27-9-1-2-10-27;24-14-18-2-5-19-8-11-27(16-20(19)12-18)23-25-15-22(29-23)13-17-3-6-21(7-4-17)28-10-1-9-26-28;1-17(19-8-4-9-21(14-19)27-12-5-11-25-27)22-15-24-23(28-22)26-13-10-18-6-2-3-7-20(18)16-26;1-17(18-7-9-21(10-8-18)27-13-4-12-25-27)22-15-24-23(28-22)26-14-11-19-5-2-3-6-20(19)16-26;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;1-2-10-24(9-1)19-7-3-5-17(13-19)14-20-15-23-22(27-20)25-11-8-21-18(16-25)6-4-12-26-21;1-3-17-15-24(11-8-20(17)26-12-1)21-22-14-19(27-21)13-16-4-6-18(7-5-16)25-10-2-9-23-25;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;1-15(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;1-2-9-20(8-1)17-5-3-4-16(14-17)15-18-6-7-19(23-18)21-10-12-22-13-11-21;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;1-6-19-21(7-1)15-4-2-14(3-5-15)12-16-13-18-17(23-16)20-8-10-22-11-9-20/h1-7,9-10,12-13,16H,8,11,14,17H2;1-7,9-10,12,15H,8,11,13,16H2;2-9,11-12,14-15,17H,10,13,16H2,1H3;2-10,12-13,15,17H,11,14,16H2,1H3;2-7,9-10,12-13,27H,8,11,14H2,1H3;1-3,5,7,9-10,13,15,18,21H,4,6,8,11-12,14,16H2;2,4-7,9-10,14,17,20H,1,3,8,11-13,15H2;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;1-6,8-9,14,19H,7,10-13,15H2;2-9,22H,1H3;1-7,13H,8-12H2
• InChIKey: BFKOZWPKFGNNBU-UHFFFAOYSA-N
• XLogP: 59.30
• TPSA: 588.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 74
• Rotatable Bonds: 53
• Heavy Atoms: 367
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5150.28
LogP ≤ 5	59.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	74

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile?

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile (CID 164956334) 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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile.

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile?

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile is C1=C(Cc2cccc(-n3cccc3)c2)SC(N2CCOCC2)C1.CC(C)OC1CN(c2ncc(Cc3cccc(-n4cccc4)c3)s2)C1.CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1ccc(-n2cccn2)cc1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cccc(-n2cccn2)c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cccnc1)c1cnc(N2CCc3ccccc3C2)s1.N#Cc1ccc2c(c1)CN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)CC2.N#Cc1ccc2c(c1)CN(c1ncc(Cc3cccc(-n4cccc4)c3)s1)CC2.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.c1cc(Cc2cnc(N3CCC4OCCCC4C3)s2)cc(-n2cccc2)c1.c1ccc2c(c1)CCN(c1ncc(Cc3ccc4nccnc4c3)s1)C2.c1cnn(-c2ccc(Cc3cnc(N4CCC5OCCCC5C4)s3)cc2)c1.c1cnn(-c2ccc(Cc3cnc(N4CCOCC4)s3)cc2)c1.

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile?

The InChIKey is BFKOZWPKFGNNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4S.C23H19N5S.2C23H22N4S.C22H20N4OS.C22H25N3OS.C21H24N4OS.C21H18N4OS.C21H18N4S.C20H23N3OS.C19H19N3S.C19H22N2OS.C17H12ClN3OS2.C17H18N4OS/c25-15-19-6-7-20-8-11-28(17-21(20)12-19)24-26-16-23(29-24)14-18-4-3-5-22(13-18)27-9-1-2-10-27;24-14-18-2-5-19-8-11-27(16-20(19)12-18)23-25-15-22(29-23)13-17-3-6-21(7-4-17)28-10-1-9-26-28;1-17(19-8-4-9-21(14-19)27-12-5-11-25-27)22-15-24-23(28-22)26-13-10-18-6-2-3-7-20(18)16-26;1-17(18-7-9-21(10-8-18)27-13-4-12-25-27)22-15-24-23(28-22)26-14-11-19-5-2-3-6-20(19)16-26;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;1-2-10-24(9-1)19-7-3-5-17(13-19)14-20-15-23-22(27-20)25-11-8-21-18(16-25)6-4-12-26-21;1-3-17-15-24(11-8-20(17)26-12-1)21-22-14-19(27-21)13-16-4-6-18(7-5-16)25-10-2-9-23-25;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;1-15(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;1-2-9-20(8-1)17-5-3-4-16(14-17)15-18-6-7-19(23-18)21-10-12-22-13-11-21;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;1-6-19-21(7-1)15-4-2-14(3-5-15)12-16-13-18-17(23-16)20-8-10-22-11-9-20/h1-7,9-10,12-13,16H,8,11,14,17H2;1-7,9-10,12,15H,8,11,13,16H2;2-9,11-12,14-15,17H,10,13,16H2,1H3;2-10,12-13,15,17H,11,14,16H2,1H3;2-7,9-10,12-13,27H,8,11,14H2,1H3;1-3,5,7,9-10,13,15,18,21H,4,6,8,11-12,14,16H2;2,4-7,9-10,14,17,20H,1,3,8,11-13,15H2;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;1-6,8-9,14,19H,7,10-13,15H2;2-9,22H,1H3;1-7,13H,8-12H2.

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile?

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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile has a molecular weight of 5150.28 g/mol, XLogP of 59.30, 53 rotatable bonds, 3 hydrogen bond donors, and 74 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-(3-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[1-(4-pyrazol-1-ylphenyl)ethyl]-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-(3-propan-2-yloxyazetidin-1-yl)-5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazole;6-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile;4-[5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]morpholine;4-[5-[(3-pyrrol-1-ylphenyl)methyl]-2,3-dihydrothiophen-2-yl]morpholine;6-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;2-[5-[(3-pyrrol-1-ylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile is sourced from PubChem (CID 164956334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).