(1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate

C229H236N21O33S12+3 — CID 160618098

IUPAC(1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCN(C)C(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.CN(CCOCCO)C(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1.CN1CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1.COC(=O)c1csc(C(=O)C2=CCc3cc(OC)ccc32)n1.COc1ccc2c(c1)CC=C2C(=O)c1nc(C(C)C)cs1.C[N+]1(C)CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1.Cc1sc(C(=O)C2=CCc3ccccc32)nc1C(=O)OC(C)C.Cc1sc(C(=O)C2=CCc3ccccc32)nc1C(=O)OC1CC[N+](C)(C)CC1.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCCOCC[N+](C)(C)C.O=C(C1=CCc2ccccc21)c1nc(C2CCC(C(=O)O)CC2)cs1.O=C(C1=CCc2ccccc21)c1nc(C2CCC(C(=O)O)CC2)cs1.O=C(O)CCCN1CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1
InChIInChI=1S/C22H25N2O3S.C22H24N2O3S.C21H25N3O4S.C20H23N2OS.2C20H19NO3S.C19H20N2OS.C18H19N3O4S.C18H17NO3S.C17H17NO2S.C16H14N2O2S.C16H13NO4S/c1-14-19(22(26)27-16-10-12-24(2,3)13-11-16)23-21(28-14)20(25)18-9-8-15-6-4-5-7-17(15)18;25-20(26)6-3-11-24-12-9-16(10-13-24)19-14-28-22(23-19)21(27)18-8-7-15-4-1-2-5-17(15)18;1-14-18(21(26)28-12-11-27-10-9-24(2,3)4)23-20(29-14)19(25)16-13-22-17-8-6-5-7-15(16)17;1-22(2)11-9-15(10-12-22)18-13-24-20(21-18)19(23)17-8-7-14-5-3-4-6-16(14)17;2*22-18(16-10-9-12-3-1-2-4-15(12)16)19-21-17(11-25-19)13-5-7-14(8-6-13)20(23)24;1-21-10-8-14(9-11-21)17-12-23-19(20-17)18(22)16-7-6-13-4-2-3-5-15(13)16;1-21(6-8-25-9-7-22)18(24)15-11-26-17(20-15)16(23)13-10-19-14-5-3-2-4-12(13)14;1-10(2)22-18(21)15-11(3)23-17(19-15)16(20)14-9-8-12-6-4-5-7-13(12)14;1-10(2)15-9-21-17(18-15)16(19)14-6-4-11-8-12(20-3)5-7-13(11)14;1-18(2)16(20)13-9-21-15(17-13)14(19)12-8-7-10-5-3-4-6-11(10)12;1-20-10-4-6-11-9(7-10)3-5-12(11)14(18)15-17-13(8-22-15)16(19)21-2/h4-7,9,16H,8,10-13H2,1-3H3;1-2,4-5,8,14,16H,3,6-7,9-13H2,(H,25,26);5-8,13H,9-12H2,1-4H3;3-6,8,13,15H,7,9-12H2,1-2H3;2*1-4,10-11,13-14H,5-9H2,(H,23,24);2-5,7,12,14H,6,8-11H2,1H3;2-5,10-11,19,22H,6-9H2,1H3;4-7,9-10H,8H2,1-3H3;5-10H,4H2,1-3H3;3-6,8-9H,7H2,1-2H3;4-8H,3H2,1-2H3/q+1;;;+1;;;;;;;;/p+1
InChIKeyRGIUBNARDBHFFG-UHFFFAOYSA-O
MW4195.32 g/mol
LogP42.37
Rot. Bonds57

About (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate

(1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 160618098) has the molecular formula C229H236N21O33S12+3 and a molecular weight of 4195.32 g/mol. Its IUPAC name is (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID160618098
Molecular FormulaC229H236N21O33S12+3
Molecular Weight4195.32 g/mol
Exact Mass4191.41
IUPAC Name(1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCN(C)C(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.CN(CCOCCO)C(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1.CN1CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1.COC(=O)c1csc(C(=O)C2=CCc3cc(OC)ccc32)n1.COc1ccc2c(c1)CC=C2C(=O)c1nc(C(C)C)cs1.C[N+]1(C)CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1.Cc1sc(C(=O)C2=CCc3ccccc32)nc1C(=O)OC(C)C.Cc1sc(C(=O)C2=CCc3ccccc32)nc1C(=O)OC1CC[N+](C)(C)CC1.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCCOCC[N+](C)(C)C.O=C(C1=CCc2ccccc21)c1nc(C2CCC(C(=O)O)CC2)cs1.O=C(C1=CCc2ccccc21)c1nc(C2CCC(C(=O)O)CC2)cs1.O=C(O)CCCN1CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1
InChIInChI=1S/C22H25N2O3S.C22H24N2O3S.C21H25N3O4S.C20H23N2OS.2C20H19NO3S.C19H20N2OS.C18H19N3O4S.C18H17NO3S.C17H17NO2S.C16H14N2O2S.C16H13NO4S/c1-14-19(22(26)27-16-10-12-24(2,3)13-11-16)23-21(28-14)20(25)18-9-8-15-6-4-5-7-17(15)18;25-20(26)6-3-11-24-12-9-16(10-13-24)19-14-28-22(23-19)21(27)18-8-7-15-4-1-2-5-17(15)18;1-14-18(21(26)28-12-11-27-10-9-24(2,3)4)23-20(29-14)19(25)16-13-22-17-8-6-5-7-15(16)17;1-22(2)11-9-15(10-12-22)18-13-24-20(21-18)19(23)17-8-7-14-5-3-4-6-16(14)17;2*22-18(16-10-9-12-3-1-2-4-15(12)16)19-21-17(11-25-19)13-5-7-14(8-6-13)20(23)24;1-21-10-8-14(9-11-21)17-12-23-19(20-17)18(22)16-7-6-13-4-2-3-5-15(13)16;1-21(6-8-25-9-7-22)18(24)15-11-26-17(20-15)16(23)13-10-19-14-5-3-2-4-12(13)14;1-10(2)22-18(21)15-11(3)23-17(19-15)16(20)14-9-8-12-6-4-5-7-13(12)14;1-10(2)15-9-21-17(18-15)16(19)14-6-4-11-8-12(20-3)5-7-13(11)14;1-18(2)16(20)13-9-21-15(17-13)14(19)12-8-7-10-5-3-4-6-11(10)12;1-20-10-4-6-11-9(7-10)3-5-12(11)14(18)15-17-13(8-22-15)16(19)21-2/h4-7,9,16H,8,10-13H2,1-3H3;1-2,4-5,8,14,16H,3,6-7,9-13H2,(H,25,26);5-8,13H,9-12H2,1-4H3;3-6,8,13,15H,7,9-12H2,1-2H3;2*1-4,10-11,13-14H,5-9H2,(H,23,24);2-5,7,12,14H,6,8-11H2,1H3;2-5,10-11,19,22H,6-9H2,1H3;4-7,9-10H,8H2,1-3H3;5-10H,4H2,1-3H3;3-6,8-9H,7H2,1-2H3;4-8H,3H2,1-2H3/q+1;;;+1;;;;;;;;/p+1
InChIKeyRGIUBNARDBHFFG-UHFFFAOYSA-O
XLogP42.37
TPSA712.45 Ų
H-Bond Donors6
H-Bond Acceptors56
Rotatable Bonds57
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004195.32
LogP ≤ 542.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1056

Analyze (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

6-[(3R,5S)-1-(2-amino-3,3,3-trifluoropropanoyl)-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxy-N-[(2S)-1-[(2S,4R)-4-[[2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(3-methyl-4-pyridinyl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-oxo-1H-isoindol-5-yl]oxy]-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 134492670
CID 157949545
CID 157949545
CID 158549089
CID 158549089
2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methyl-4-pyridinyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 158725963
CID 159168717
CID 159168717
CID 159910455
CID 159910455
CID 160346196
CID 160346196
(2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-2-[2-(4-benzoyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2S)-N-[2-[(2R)-2-(4-benzoyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxypyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide
CID 160693050
(2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 161343705
2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(2S,4R)-1-(2,4-dimethylbenzoyl)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methyl-4-pyridinyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 161564271
2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methyl-4-pyridinyl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 161930291
(2R)-2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide;N-[1,1,1-trifluoro-3-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-oxopropan-2-yl]acetamide
CID 162058122

Frequently Asked Questions

What is the IUPAC name of (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 160618098) is (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate is CN(C)C(=O)c1csc(C(=O)C2=CCc3ccccc32)n1.CN(CCOCCO)C(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1.CN1CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1.COC(=O)c1csc(C(=O)C2=CCc3cc(OC)ccc32)n1.COc1ccc2c(c1)CC=C2C(=O)c1nc(C(C)C)cs1.C[N+]1(C)CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1.Cc1sc(C(=O)C2=CCc3ccccc32)nc1C(=O)OC(C)C.Cc1sc(C(=O)C2=CCc3ccccc32)nc1C(=O)OC1CC[N+](C)(C)CC1.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCCOCC[N+](C)(C)C.O=C(C1=CCc2ccccc21)c1nc(C2CCC(C(=O)O)CC2)cs1.O=C(C1=CCc2ccccc21)c1nc(C2CCC(C(=O)O)CC2)cs1.O=C(O)CCCN1CCC(c2csc(C(=O)C3=CCc4ccccc43)n2)CC1.
What is the InChIKey of (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is RGIUBNARDBHFFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N2O3S.C22H24N2O3S.C21H25N3O4S.C20H23N2OS.2C20H19NO3S.C19H20N2OS.C18H19N3O4S.C18H17NO3S.C17H17NO2S.C16H14N2O2S.C16H13NO4S/c1-14-19(22(26)27-16-10-12-24(2,3)13-11-16)23-21(28-14)20(25)18-9-8-15-6-4-5-7-17(15)18;25-20(26)6-3-11-24-12-9-16(10-13-24)19-14-28-22(23-19)21(27)18-8-7-15-4-1-2-5-17(15)18;1-14-18(21(26)28-12-11-27-10-9-24(2,3)4)23-20(29-14)19(25)16-13-22-17-8-6-5-7-15(16)17;1-22(2)11-9-15(10-12-22)18-13-24-20(21-18)19(23)17-8-7-14-5-3-4-6-16(14)17;2*22-18(16-10-9-12-3-1-2-4-15(12)16)19-21-17(11-25-19)13-5-7-14(8-6-13)20(23)24;1-21-10-8-14(9-11-21)17-12-23-19(20-17)18(22)16-7-6-13-4-2-3-5-15(13)16;1-21(6-8-25-9-7-22)18(24)15-11-26-17(20-15)16(23)13-10-19-14-5-3-2-4-12(13)14;1-10(2)22-18(21)15-11(3)23-17(19-15)16(20)14-9-8-12-6-4-5-7-13(12)14;1-10(2)15-9-21-17(18-15)16(19)14-6-4-11-8-12(20-3)5-7-13(11)14;1-18(2)16(20)13-9-21-15(17-13)14(19)12-8-7-10-5-3-4-6-11(10)12;1-20-10-4-6-11-9(7-10)3-5-12(11)14(18)15-17-13(8-22-15)16(19)21-2/h4-7,9,16H,8,10-13H2,1-3H3;1-2,4-5,8,14,16H,3,6-7,9-13H2,(H,25,26);5-8,13H,9-12H2,1-4H3;3-6,8,13,15H,7,9-12H2,1-2H3;2*1-4,10-11,13-14H,5-9H2,(H,23,24);2-5,7,12,14H,6,8-11H2,1H3;2-5,10-11,19,22H,6-9H2,1H3;4-7,9-10H,8H2,1-3H3;5-10H,4H2,1-3H3;3-6,8-9H,7H2,1-2H3;4-8H,3H2,1-2H3/q+1;;;+1;;;;;;;;/p+1.
What are the key properties of (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
(1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 4195.32 g/mol, XLogP of 42.37, 57 rotatable bonds, 6 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethylpiperidin-1-ium-4-yl) 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(3H-inden-1-yl)methanone;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide;2-(3H-indene-1-carbonyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide;bis(4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid);4-[4-[2-(3H-indene-1-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]butanoic acid;3H-inden-1-yl-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl-trimethylazanium;(5-methoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;methyl 2-(5-methoxy-3H-indene-1-carbonyl)-1,3-thiazole-4-carboxylate;propan-2-yl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 160618098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).