ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline

C236H296N20O4S2 — CID 159014974

IUPACethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCC(=O)C2.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccnc2c1.CC1=NCc2ccc(C(C)C)cc21.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1ccncc1-c1ccc(C(C)C)cc1.Cc1cncc(-c2ccc(C(C)C)cc2)c1.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/2C15H17N.C14H15N.2C14H16.2C13H16N2.2C13H15N.C12H15N.C12H14O2.C11H13N3.C11H12N2.2C11H13NO.C11H13NS.C11H12S.C10H12N2.6C2H6/c1-11(2)13-4-6-14(7-5-13)15-8-12(3)9-16-10-15;1-11(2)13-4-6-14(7-5-13)15-10-16-9-8-12(15)3;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;2*1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-10(2)11-4-6-12(7-5-11)13-8-14-9-15(13)3;1-10(2)11-4-6-12(7-5-11)13-8-14-15(3)9-13;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-7-13-9(3)12(11)6-10;1-8(2)9-3-4-10-5-11(13)7-14-12(10)6-9;1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;6*1-2/h2*4-11H,1-3H3;3-11H,1-2H3;2*4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;4-6,8H,7H2,1-3H3;3-4,6,8H,5,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;2*3-8H,1-2H3;6*1-2H3
InChIKeyJSYYAKXKFYGWEX-UHFFFAOYSA-N
MW3541.23 g/mol
LogP66.10
Rot. Bonds24

About ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline

ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline (PubChem CID 159014974) has the molecular formula C236H296N20O4S2 and a molecular weight of 3541.23 g/mol. Its IUPAC name is ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline.

Molecular Properties

Compound Nameethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline
PubChem CID159014974
Molecular FormulaC236H296N20O4S2
Molecular Weight3541.23 g/mol
Exact Mass3538.30
IUPAC Nameethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCC(=O)C2.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccnc2c1.CC1=NCc2ccc(C(C)C)cc21.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1ccncc1-c1ccc(C(C)C)cc1.Cc1cncc(-c2ccc(C(C)C)cc2)c1.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/2C15H17N.C14H15N.2C14H16.2C13H16N2.2C13H15N.C12H15N.C12H14O2.C11H13N3.C11H12N2.2C11H13NO.C11H13NS.C11H12S.C10H12N2.6C2H6/c1-11(2)13-4-6-14(7-5-13)15-8-12(3)9-16-10-15;1-11(2)13-4-6-14(7-5-13)15-10-16-9-8-12(15)3;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;2*1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-10(2)11-4-6-12(7-5-11)13-8-14-9-15(13)3;1-10(2)11-4-6-12(7-5-11)13-8-14-15(3)9-13;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-7-13-9(3)12(11)6-10;1-8(2)9-3-4-10-5-11(13)7-14-12(10)6-9;1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;6*1-2/h2*4-11H,1-3H3;3-11H,1-2H3;2*4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;4-6,8H,7H2,1-3H3;3-4,6,8H,5,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;2*3-8H,1-2H3;6*1-2H3
InChIKeyJSYYAKXKFYGWEX-UHFFFAOYSA-N
XLogP66.10
TPSA283.63 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003541.23
LogP ≤ 566.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline with MolForge

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Related Compounds

1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
1H-benzimidazol-3-ium;1-benzofuran;1,3-benzothiazole;furan;1H-imidazole;1H-indazole;2-methylisoindole-1,3-dione;1,5-naphthyridine;1H-pyrazole;pyridine;1,3-thiazole;1H-1,2,4-triazole;1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CID 157077013
1,3-Ditert-butylbenzene;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1-benzofuran;1,4-ditert-butyl-2,5-dimethylbenzene;3,6-ditert-butyl-2,4-dimethylpyridine;2,5-ditert-butyl-1-methylimidazole;2,4-ditert-butyl-1-methylindole;2,6-ditert-butyl-1-methylindole;3,5-ditert-butyl-1-methylpyrazole;3,6-ditert-butyl-4-methylpyridazine;2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butylpyrazine;2,4-ditert-butylpyridine;2,6-ditert-butylpyridine;3,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;2,5-ditert-butylthiophene;2,5-ditert-butyl-1,3,7-trimethylindole
CID 157077113
5-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157085276
2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 157096277
CID 157174322
CID 157174322
3,6-Di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 157180147
10-(4-Carbazol-9-yl-2-pyridinyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4-dibenzothiophen-3-yl-2-pyridinyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 157270239
2-[4-anthracen-9-yl-6-(1-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzoxazole;6-(1,3-benzoxazol-2-yl)-2-naphthalen-1-yl-N,N-diphenylpyrimidin-4-amine;2-[3-(1,10-phenanthrolin-5-yl)-5-(1-phenyltriazol-4-yl)phenyl]-1,3-benzothiazole;2-[6-(1-phenylbenzimidazol-2-yl)-2-pyren-1-ylpyrimidin-4-yl]imidazo[1,2-a]pyrimidine
CID 157281813
6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;5-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157300589
5-propan-2-yl-1-benzofuran;bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157300984
Methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine
CID 157312010

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline?
The IUPAC name of ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline (CID 159014974) is ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline.
What is the SMILES notation for ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline?
The canonical SMILES for ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline is CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2s1.CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cncn2C)cc1.CC(C)c1ccc(-c2cnn(C)c2)cc1.CC(C)c1ccc(-n2ccnn2)cc1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCC(=O)C2.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccnc2c1.CC1=NCc2ccc(C(C)C)cc21.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1ccc2cc(C(C)C)ccc2n1.Cc1ccncc1-c1ccc(C(C)C)cc1.Cc1cncc(-c2ccc(C(C)C)cc2)c1.Cc1nc2ccc(C(C)C)cc2s1.
What is the InChIKey of ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline?
The InChIKey is JSYYAKXKFYGWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N.C14H15N.2C14H16.2C13H16N2.2C13H15N.C12H15N.C12H14O2.C11H13N3.C11H12N2.2C11H13NO.C11H13NS.C11H12S.C10H12N2.6C2H6/c1-11(2)13-4-6-14(7-5-13)15-8-12(3)9-16-10-15;1-11(2)13-4-6-14(7-5-13)15-10-16-9-8-12(15)3;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;2*1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-10(2)11-4-6-12(7-5-11)13-8-14-9-15(13)3;1-10(2)11-4-6-12(7-5-11)13-8-14-15(3)9-13;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-7-13-9(3)12(11)6-10;1-8(2)9-3-4-10-5-11(13)7-14-12(10)6-9;1-9(2)10-3-5-11(6-4-10)14-8-7-12-13-14;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;6*1-2/h2*4-11H,1-3H3;3-11H,1-2H3;2*4-10H,1-3H3;2*4-10H,1-3H3;2*4-9H,1-3H3;4-6,8H,7H2,1-3H3;3-4,6,8H,5,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;2*3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;2*3-8H,1-2H3;6*1-2H3.
What are the key properties of ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline?
ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline has a molecular weight of 3541.23 g/mol, XLogP of 66.10, 24 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1H-isoindole;bis(2-methyl-6-propan-2-ylnaphthalene);1-methyl-5-(4-propan-2-ylphenyl)imidazole;1-methyl-4-(4-propan-2-ylphenyl)pyrazole;3-methyl-5-(4-propan-2-ylphenyl)pyridine;4-methyl-3-(4-propan-2-ylphenyl)pyridine;bis(2-methyl-6-propan-2-ylquinoline);2-propan-2-yl-1-benzothiophene;7-propan-2-yl-4H-chromen-3-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-ylimidazo[1,2-a]pyridine;3-(4-propan-2-ylphenyl)pyridine;1-(4-propan-2-ylphenyl)triazole;6-propan-2-ylquinoxaline is sourced from PubChem (CID 159014974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).