1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one

C132H148BrF3N8O12S6 — CID 158491560

IUPAC1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1=Cc2ccc(F)cc2C1.CC(C)(C)C(=O)C1=Cc2ccccc2C1.CC(C)(C)C(=O)Cc1csc(-c2ccc(F)cc2)n1.CC(C)(C)C(=O)c1ccc2[nH]ccc2c1.CC(C)(C)C(=O)c1ccc2cc[nH]c2c1.CC(C)(C)C(=O)c1cnc(-c2ccco2)s1.CC(C)(C)C(=O)c1cnc(Br)s1.CC(C)(C)C(=O)c1csc(-c2ccco2)n1.CC(C)C(=O)C(C)(C)c1csc(-c2ccc(F)cc2)n1.Cc1nc(-c2ccccc2)sc1C(=O)C(C)(C)C
InChIInChI=1S/C16H18FNOS.C15H16FNOS.C15H17NOS.C14H15FO.C14H16O.2C13H15NO.2C12H13NO2S.C8H10BrNOS/c1-10(2)14(19)16(3,4)13-9-20-15(18-13)11-5-7-12(17)8-6-11;1-15(2,3)13(18)8-12-9-19-14(17-12)10-4-6-11(16)7-5-10;1-10-12(13(17)15(2,3)4)18-14(16-10)11-8-6-5-7-9-11;1-14(2,3)13(16)11-6-9-4-5-12(15)8-10(9)7-11;1-14(2,3)13(15)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12(15)10-4-5-11-9(8-10)6-7-14-11;1-13(2,3)12(15)10-5-4-9-6-7-14-11(9)8-10;1-12(2,3)10(14)8-7-16-11(13-8)9-5-4-6-15-9;1-12(2,3)10(14)9-7-13-11(16-9)8-5-4-6-15-8;1-8(2,3)6(11)5-4-10-7(9)12-5/h5-10H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,1-4H3;4-6,8H,7H2,1-3H3;4-8H,9H2,1-3H3;2*4-8,14H,1-3H3;2*4-7H,1-3H3;4H,1-3H3
InChIKeyHITIZRLYKYNOEZ-UHFFFAOYSA-N
MW2367.98 g/mol
LogP36.72
Rot. Bonds18

About 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one

1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 158491560) has the molecular formula C132H148BrF3N8O12S6 and a molecular weight of 2367.98 g/mol. Its IUPAC name is 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one
PubChem CID158491560
Molecular FormulaC132H148BrF3N8O12S6
Molecular Weight2367.98 g/mol
Exact Mass2364.87
IUPAC Name1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1=Cc2ccc(F)cc2C1.CC(C)(C)C(=O)C1=Cc2ccccc2C1.CC(C)(C)C(=O)Cc1csc(-c2ccc(F)cc2)n1.CC(C)(C)C(=O)c1ccc2[nH]ccc2c1.CC(C)(C)C(=O)c1ccc2cc[nH]c2c1.CC(C)(C)C(=O)c1cnc(-c2ccco2)s1.CC(C)(C)C(=O)c1cnc(Br)s1.CC(C)(C)C(=O)c1csc(-c2ccco2)n1.CC(C)C(=O)C(C)(C)c1csc(-c2ccc(F)cc2)n1.Cc1nc(-c2ccccc2)sc1C(=O)C(C)(C)C
InChIInChI=1S/C16H18FNOS.C15H16FNOS.C15H17NOS.C14H15FO.C14H16O.2C13H15NO.2C12H13NO2S.C8H10BrNOS/c1-10(2)14(19)16(3,4)13-9-20-15(18-13)11-5-7-12(17)8-6-11;1-15(2,3)13(18)8-12-9-19-14(17-12)10-4-6-11(16)7-5-10;1-10-12(13(17)15(2,3)4)18-14(16-10)11-8-6-5-7-9-11;1-14(2,3)13(16)11-6-9-4-5-12(15)8-10(9)7-11;1-14(2,3)13(15)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12(15)10-4-5-11-9(8-10)6-7-14-11;1-13(2,3)12(15)10-5-4-9-6-7-14-11(9)8-10;1-12(2,3)10(14)8-7-16-11(13-8)9-5-4-6-15-9;1-12(2,3)10(14)9-7-13-11(16-9)8-5-4-6-15-8;1-8(2,3)6(11)5-4-10-7(9)12-5/h5-10H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,1-4H3;4-6,8H,7H2,1-3H3;4-8H,9H2,1-3H3;2*4-8,14H,1-3H3;2*4-7H,1-3H3;4H,1-3H3
InChIKeyHITIZRLYKYNOEZ-UHFFFAOYSA-N
XLogP36.72
TPSA305.90 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002367.98
LogP ≤ 536.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methyl furan-2-carboximidothioate;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate
CID 159700059
benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate
CID 161031044
(7-amino-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;(5-ethoxy-3H-inden-1-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;ethyl 2-(3H-indene-1-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;(4-ethyl-1,3-thiazol-2-yl)-(5-methoxy-3H-inden-1-yl)methanone;2-(3H-indene-1-carbonyl)-1,3-thiazole-4-carbonitrile;3H-inden-1-yl-(4-methoxy-1,3-thiazol-2-yl)methanone;2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium;methyl 1-(4-tert-butyl-1,3-thiazole-2-carbonyl)-3H-indene-5-carboxylate;methyl 6-fluoro-1-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3H-indene-5-carboxylate;methyl 2-(3H-indene-1-carbonyl)-5-prop-1-en-2-yl-1,3-thiazole-4-carboxylate
CID 161203907
tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;3-tert-butyloxolane;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;propan-2-ylcyclopentane;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;bis(3-propan-2-yl-1H-pyrrole);4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
CID 162109424
1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;2,2-dimethyl-1-(2-phenyl-1,3-thiazol-4-yl)propan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one
CID 162121926
4-(1-benzofuran-2-yl)-2-(furan-3-yl)-1,3-thiazole;4-(1-benzofuran-3-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole;5-(1-benzofuran-3-yl)-2-(furan-3-yl)-1,3-thiazole;bis(2-(furan-2-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);bis(2-(furan-3-yl)-4-(6-methyl-1-benzofuran-2-yl)-1,3-thiazole);4-(6-methyl-1-benzofuran-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 164968569

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one (CID 158491560) is 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1=Cc2ccc(F)cc2C1.CC(C)(C)C(=O)C1=Cc2ccccc2C1.CC(C)(C)C(=O)Cc1csc(-c2ccc(F)cc2)n1.CC(C)(C)C(=O)c1ccc2[nH]ccc2c1.CC(C)(C)C(=O)c1ccc2cc[nH]c2c1.CC(C)(C)C(=O)c1cnc(-c2ccco2)s1.CC(C)(C)C(=O)c1cnc(Br)s1.CC(C)(C)C(=O)c1csc(-c2ccco2)n1.CC(C)C(=O)C(C)(C)c1csc(-c2ccc(F)cc2)n1.Cc1nc(-c2ccccc2)sc1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is HITIZRLYKYNOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS.C15H16FNOS.C15H17NOS.C14H15FO.C14H16O.2C13H15NO.2C12H13NO2S.C8H10BrNOS/c1-10(2)14(19)16(3,4)13-9-20-15(18-13)11-5-7-12(17)8-6-11;1-15(2,3)13(18)8-12-9-19-14(17-12)10-4-6-11(16)7-5-10;1-10-12(13(17)15(2,3)4)18-14(16-10)11-8-6-5-7-9-11;1-14(2,3)13(16)11-6-9-4-5-12(15)8-10(9)7-11;1-14(2,3)13(15)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12(15)10-4-5-11-9(8-10)6-7-14-11;1-13(2,3)12(15)10-5-4-9-6-7-14-11(9)8-10;1-12(2,3)10(14)8-7-16-11(13-8)9-5-4-6-15-9;1-12(2,3)10(14)9-7-13-11(16-9)8-5-4-6-15-8;1-8(2,3)6(11)5-4-10-7(9)12-5/h5-10H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,1-4H3;4-6,8H,7H2,1-3H3;4-8H,9H2,1-3H3;2*4-8,14H,1-3H3;2*4-7H,1-3H3;4H,1-3H3.
What are the key properties of 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one?
1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 2367.98 g/mol, XLogP of 36.72, 18 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)propan-1-one;1-(6-fluoro-1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-3,3-dimethylbutan-2-one;2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2,4-dimethylpentan-3-one;1-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one;1-[2-(furan-2-yl)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one;1-(1H-inden-2-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-5-yl)-2,2-dimethylpropan-1-one;1-(1H-indol-6-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158491560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).