1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole

C165H204Cl2F4N12O8S3 — CID 161011308

IUPAC1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(=O)Nc1cccc2c(C(C)C)cccc12.CC(=O)Nc1nc(C)c(C(C)C)s1.CC(C)CCc1cccc2ccccc12.CC(C)c1ccc2c(Cl)cccc2c1.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)N(C(=O)C(F)(F)F)CCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1cccc2c(Cl)cccc12.Cc1[nH]c(=O)[nH]c(=O)c1C(C)C.Cc1c(C(C)C)sc2ccc(F)cc12.Cc1nc(C(C)C)cn1C.Cc1nc2ccc(C(C)C)cc2s1.Cc1nn(C)c(C)c1C(C)C
InChIInChI=1S/C15H17NO.C15H14O.C15H18.C14H16F3NO.2C13H13Cl.C12H13FS.C12H17N.C11H13NS.C11H14O2.C9H14N2OS.C9H16N2.C8H12N2O2.C8H14N2/c1-10(2)12-6-4-8-14-13(12)7-5-9-15(14)16-11(3)17;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-12(2)10-11-14-8-5-7-13-6-3-4-9-15(13)14;1-9(2)11-6-5-10-4-3-7-18(12(10)8-11)13(19)14(15,16)17;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)10-6-7-12-11(8-10)4-3-5-13(12)14;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-5(2)8-6(3)10-9(13-8)11-7(4)12;1-6(2)9-7(3)10-11(5)8(9)4;1-4(2)6-5(3)9-8(12)10-7(6)11;1-6(2)8-5-10(4)7(3)9-8/h4-10H,1-3H3,(H,16,17);3-10H,1-2H3;3-9,12H,10-11H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;3-4,7,9,13H,5-6,8H2,1-2H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5H,1-4H3,(H,10,11,12);6H,1-5H3;4H,1-3H3,(H2,9,10,11,12);5-6H,1-4H3
InChIKeyTXDPKFMWFYWEFK-UHFFFAOYSA-N
MW2726.62 g/mol
LogP46.22
Rot. Bonds18

About 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole

1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 161011308) has the molecular formula C165H204Cl2F4N12O8S3 and a molecular weight of 2726.62 g/mol. Its IUPAC name is 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID161011308
Molecular FormulaC165H204Cl2F4N12O8S3
Molecular Weight2726.62 g/mol
Exact Mass2723.44
IUPAC Name1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(=O)Nc1cccc2c(C(C)C)cccc12.CC(=O)Nc1nc(C)c(C(C)C)s1.CC(C)CCc1cccc2ccccc12.CC(C)c1ccc2c(Cl)cccc2c1.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)N(C(=O)C(F)(F)F)CCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1cccc2c(Cl)cccc12.Cc1[nH]c(=O)[nH]c(=O)c1C(C)C.Cc1c(C(C)C)sc2ccc(F)cc12.Cc1nc(C(C)C)cn1C.Cc1nc2ccc(C(C)C)cc2s1.Cc1nn(C)c(C)c1C(C)C
InChIInChI=1S/C15H17NO.C15H14O.C15H18.C14H16F3NO.2C13H13Cl.C12H13FS.C12H17N.C11H13NS.C11H14O2.C9H14N2OS.C9H16N2.C8H12N2O2.C8H14N2/c1-10(2)12-6-4-8-14-13(12)7-5-9-15(14)16-11(3)17;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-12(2)10-11-14-8-5-7-13-6-3-4-9-15(13)14;1-9(2)11-6-5-10-4-3-7-18(12(10)8-11)13(19)14(15,16)17;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)10-6-7-12-11(8-10)4-3-5-13(12)14;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-5(2)8-6(3)10-9(13-8)11-7(4)12;1-6(2)9-7(3)10-11(5)8(9)4;1-4(2)6-5(3)9-8(12)10-7(6)11;1-6(2)8-5-10(4)7(3)9-8/h4-10H,1-3H3,(H,16,17);3-10H,1-2H3;3-9,12H,10-11H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;3-4,7,9,13H,5-6,8H2,1-2H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5H,1-4H3,(H,10,11,12);6H,1-5H3;4H,1-3H3,(H2,9,10,11,12);5-6H,1-4H3
InChIKeyTXDPKFMWFYWEFK-UHFFFAOYSA-N
XLogP46.22
TPSA249.28 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002726.62
LogP ≤ 546.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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Related Compounds

2-chloro-1,4-dimethylbenzene;5-chloro-1-methylindole;N,4-dimethylaniline;1,4-dimethylpiperidine;1,4-dimethyl-2-(trifluoromethyl)benzene;ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;2-methoxy-1,4-dimethylbenzene;1-[3-(methylamino)phenyl]ethanone;6-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;1-methylindole;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2-methylthiophene;1-methyl-3-(trifluoromethyl)pyrazole;toluene;1,2,4-trimethylbenzene;bis(1,4-xylene)
CID 160477510
5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;6-methyl-2,3-dihydro-1,4-benzodioxine;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene
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6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-6-chloropyridine;2-tert-butyl-5-chlorothiophene;tert-butylcycloheptane;tert-butylcyclohexane;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;3-tert-butylisoquinoline;5-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine;4-tert-butyl-2-pyrrolidin-1-ylpyridine;3-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)thiophene;bis(2,2-dimethylpentane);2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;1-(2,2-dimethylpropyl)piperidine;3-(2,2-dimethylpropyl)thiophene;2,4-dimethylpyridine;2-methylbutane;N-methylcyclopentanamine;2,2,4,4-tetramethylpentane;2,2,5-trimethylhexane;bis(1,3-xylene)
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(3-acetyloxy-5-methylnaphthalen-2-yl) acetate;5-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-5-methylimidazo[2,1-b][1,3]thiazole;1-chloro-6-methylnaphthalene;4,5-dimethyl-2,1,3-benzothiadiazole;3,8-dimethylquinoline;2-ethylnaphthalene;2-methyl-1H-benzimidazole;4-methyl-2,1,3-benzothiadiazole;6-methyl-3H-1,3-benzothiazol-2-one;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;6-methylchromen-2-one;2-methyldibenzofuran;7-methyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione;5-methyl-2,3-dihydro-1-benzofuran;5-methylisoquinoline;2-methylnaphthalene;8-methylquinoline;2-propylnaphthalene;2,2,2-trifluoro-1-(7-methyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)ethanone;2,2,6-trimethyl-3,4-dihydrochromene
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1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
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1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157872815
2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1,6-dimethylindazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
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1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
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1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
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1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 159994932
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;4-fluoro-5-methyl-1H-benzimidazole;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 160081933
(1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(1,3-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[1-methyl-3-(methylamino)indazol-5-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one
CID 161316174

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 161011308) is 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(=O)Nc1cccc2c(C(C)C)cccc12.CC(=O)Nc1nc(C)c(C(C)C)s1.CC(C)CCc1cccc2ccccc12.CC(C)c1ccc2c(Cl)cccc2c1.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)N(C(=O)C(F)(F)F)CCC2.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1cccc2c(Cl)cccc12.Cc1[nH]c(=O)[nH]c(=O)c1C(C)C.Cc1c(C(C)C)sc2ccc(F)cc12.Cc1nc(C(C)C)cn1C.Cc1nc2ccc(C(C)C)cc2s1.Cc1nn(C)c(C)c1C(C)C.
What is the InChIKey of 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is TXDPKFMWFYWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C15H14O.C15H18.C14H16F3NO.2C13H13Cl.C12H13FS.C12H17N.C11H13NS.C11H14O2.C9H14N2OS.C9H16N2.C8H12N2O2.C8H14N2/c1-10(2)12-6-4-8-14-13(12)7-5-9-15(14)16-11(3)17;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-12(2)10-11-14-8-5-7-13-6-3-4-9-15(13)14;1-9(2)11-6-5-10-4-3-7-18(12(10)8-11)13(19)14(15,16)17;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)10-6-7-12-11(8-10)4-3-5-13(12)14;1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-5(2)8-6(3)10-9(13-8)11-7(4)12;1-6(2)9-7(3)10-11(5)8(9)4;1-4(2)6-5(3)9-8(12)10-7(6)11;1-6(2)8-5-10(4)7(3)9-8/h4-10H,1-3H3,(H,16,17);3-10H,1-2H3;3-9,12H,10-11H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;3-4,7,9,13H,5-6,8H2,1-2H3;4-7H,1-3H3;3-4,7-8H,5-6H2,1-2H3;5H,1-4H3,(H,10,11,12);6H,1-5H3;4H,1-3H3,(H2,9,10,11,12);5-6H,1-4H3.
What are the key properties of 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole?
1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 2726.62 g/mol, XLogP of 46.22, 18 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-propan-2-ylnaphthalene;1-chloro-6-propan-2-ylnaphthalene;1,2-dimethyl-4-propan-2-ylimidazole;5-fluoro-3-methyl-2-propan-2-yl-1-benzothiophene;1-(3-methylbutyl)naphthalene;2-methyl-6-propan-2-yl-1,3-benzothiazole;6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione;N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide;2-propan-2-yldibenzofuran;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;N-(5-propan-2-ylnaphthalen-1-yl)acetamide;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoro-1-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 161011308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).