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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole

C168H152ClN29O3S9 — CID 158179250

IUPAC1-[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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole
SMILESC=C/C=C1/CN(c2ncc(C(C)c3cccnc3)s2)CCC1=C.CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1ccc(-c2ncccn2)cc1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cnc(N2CCc3ccccc3C2)s1)c1c[nH]c2ccccc12.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.c1ccc2c(c1)CCN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)C2.c1ccc2c(c1)CCN(c1ncc(Cc3ccc4nccnc4c3)s1)C2
InChIInChI=1S/C24H22N4S.C22H20N4OS.C22H20N4S.C22H21N3S.C21H18N4OS.C21H18N4S.C19H21N3S.C17H12ClN3OS2/c1-17(18-7-9-20(10-8-18)23-25-12-4-13-26-23)22-15-27-24(29-22)28-14-11-19-5-2-3-6-21(19)16-28;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;1-4-6-17-13-22(10-8-14(17)2)19-21-12-18(23-19)15(3)16-7-5-9-20-11-16;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/h2-10,12-13,15,17H,11,14,16H2,1H3;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;4-7,9,11-12,15H,1-2,8,10,13H2,3H3;2-9,22H,1H3/b;;;;;;17-6-;
InChIKeyFYJJQHLBFORTMH-XWMFOWJNSA-N
MW2949.32 g/mol
LogP36.30
Rot. Bonds27

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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole (PubChem CID 158179250) has the molecular formula C168H152ClN29O3S9 and a molecular weight of 2949.32 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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name1-[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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole
PubChem CID158179250
Molecular FormulaC168H152ClN29O3S9
Molecular Weight2949.32 g/mol
Exact Mass2945.98
IUPAC Name1-[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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole
SMILESC=C/C=C1/CN(c2ncc(C(C)c3cccnc3)s2)CCC1=C.CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1ccc(-c2ncccn2)cc1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cnc(N2CCc3ccccc3C2)s1)c1c[nH]c2ccccc12.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.c1ccc2c(c1)CCN(c1ncc(Cc3ccc(-n4cccn4)cc3)s1)C2.c1ccc2c(c1)CCN(c1ncc(Cc3ccc4nccnc4c3)s1)C2
InChIInChI=1S/C24H22N4S.C22H20N4OS.C22H20N4S.C22H21N3S.C21H18N4OS.C21H18N4S.C19H21N3S.C17H12ClN3OS2/c1-17(18-7-9-20(10-8-18)23-25-12-4-13-26-23)22-15-27-24(29-22)28-14-11-19-5-2-3-6-21(19)16-28;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;1-4-6-17-13-22(10-8-14(17)2)19-21-12-18(23-19)15(3)16-7-5-9-20-11-16;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/h2-10,12-13,15,17H,11,14,16H2,1H3;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;4-7,9,11-12,15H,1-2,8,10,13H2,3H3;2-9,22H,1H3/b;;;;;;17-6-;
InChIKeyFYJJQHLBFORTMH-XWMFOWJNSA-N
XLogP36.30
TPSA361.89 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002949.32
LogP ≤ 536.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze 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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole with MolForge

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Related Compounds

[5-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]methanol;4-[[3-(1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;methane;4-[[3-(5-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(6-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;3-[(3-naphthalen-1-ylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
CID 158095126
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 158462917
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
6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole
CID 160259159
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-[1-(4-pyrimidin-2-ylphenyl)ethyl]-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
CID 160784658
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
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylmethanamine;4-[3-[4-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline
CID 161185889
(4-chlorophenyl)-[5-(2-ethyl-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(R)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(S)-(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridazin-4-ylthiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-pyridin-4-ylthiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-thieno[2,3-b]pyridin-4-ylthiophen-3-yl]methanol
CID 161386663
6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;5-methyl-1H-indole
CID 161564336
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol
CID 161588107
3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;3-[4-[6-(dimethylamino)-3-pyridinyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;3-ethoxy-3-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
CID 161953659
(3S)-3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-ethoxyprop-1-en-2-ol;(3S)-3-[4-(1,3-benzothiazol-5-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(3S)-3-[4-[6-(dimethylamino)-3-pyridinyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(3S)-3-ethoxy-3-[4-(1-ethylpyrazol-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;(3S)-3-ethoxy-3-[4-(1H-indazol-6-yl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;(3S)-3-ethoxy-3-[2-methyl-4-(3-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
CID 161953660

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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole (CID 158179250) 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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole is C=C/C=C1/CN(c2ncc(C(C)c3cccnc3)s2)CCC1=C.CC(O)(c1ccc2nccnc2c1)c1cnc(-c2ccc(Cl)s2)s1.CC(O)(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1ccc(-c2ncccn2)cc1)c1cnc(N2CCc3ccccc3C2)s1.CC(c1cnc(N2CCc3ccccc3C2)s1)c1c[nH]c2ccccc12.OC(c1ccc2nccnc2c1)c1cnc(N2CCc3ccccc3C2)s1.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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole?
The InChIKey is FYJJQHLBFORTMH-XWMFOWJNSA-N. The full InChI is InChI=1S/C24H22N4S.C22H20N4OS.C22H20N4S.C22H21N3S.C21H18N4OS.C21H18N4S.C19H21N3S.C17H12ClN3OS2/c1-17(18-7-9-20(10-8-18)23-25-12-4-13-26-23)22-15-27-24(29-22)28-14-11-19-5-2-3-6-21(19)16-28;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;1-4-6-17-13-22(10-8-14(17)2)19-21-12-18(23-19)15(3)16-7-5-9-20-11-16;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/h2-10,12-13,15,17H,11,14,16H2,1H3;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;4-7,9,11-12,15H,1-2,8,10,13H2,3H3;2-9,22H,1H3/b;;;;;;17-6-;.
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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole has a molecular weight of 2949.32 g/mol, XLogP of 36.30, 27 rotatable bonds, 4 hydrogen bond donors, and 40 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-(4-pyrimidin-2-ylphenyl)ethyl]-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-[(3E)-4-methylidene-3-prop-2-enylidenepiperidin-1-yl]-5-(1-pyridin-3-ylethyl)-1,3-thiazole is sourced from PubChem (CID 158179250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).