1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole

C229H333N29O4S4 — CID 161005011

IUPAC1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ccnc1.Cn1ccnc1C(C)(C)C.Cn1cnc2ccccc21.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1
InChIInChI=1S/C13H15N.C12H16N2.C11H13NO.C11H13NS.C10H14.4C9H7N.C8H8N2.C8H14N2.4C8H12N2.C7H5NO.C7H11NO.C7H5NS.C7H11NS.10C5H12.C4H6N2.C3H3NO.C3H3NS/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-9-7-4-2-3-5-8(7)10;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;10*1-5(2,3)4;1-6-3-2-5-4-6;2*1-2-5-3-4-1/h4-9H,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-8H,1-3H3;4*1-7H;2-6H,1H3;5-6H,1-4H3;4*4-6H,1-3H3;1-5H;4-5H,1-3H3;1-5H;4-5H,1-3H3;10*1-4H3;2-4H,1H3;2*1-3H
InChIKeyTWJUHUJXMDYHGU-UHFFFAOYSA-N
MW3684.65 g/mol
LogP66.73
Rot. Bonds

About 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole

1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole (PubChem CID 161005011) has the molecular formula C229H333N29O4S4 and a molecular weight of 3684.65 g/mol. Its IUPAC name is 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole.

Molecular Properties

Compound Name1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole
PubChem CID161005011
Molecular FormulaC229H333N29O4S4
Molecular Weight3684.65 g/mol
Exact Mass3681.56
IUPAC Name1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ccnc1.Cn1ccnc1C(C)(C)C.Cn1cnc2ccccc21.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1
InChIInChI=1S/C13H15N.C12H16N2.C11H13NO.C11H13NS.C10H14.4C9H7N.C8H8N2.C8H14N2.4C8H12N2.C7H5NO.C7H11NO.C7H5NS.C7H11NS.10C5H12.C4H6N2.C3H3NO.C3H3NS/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-9-7-4-2-3-5-8(7)10;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;10*1-5(2,3)4;1-6-3-2-5-4-6;2*1-2-5-3-4-1/h4-9H,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-8H,1-3H3;4*1-7H;2-6H,1H3;5-6H,1-4H3;4*4-6H,1-3H3;1-5H;4-5H,1-3H3;1-5H;4-5H,1-3H3;10*1-4H3;2-4H,1H3;2*1-3H
InChIKeyTWJUHUJXMDYHGU-UHFFFAOYSA-N
XLogP66.73
TPSA394.53 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003684.65
LogP ≤ 566.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
benzene-1,2-dicarbonitrile;benzenesulfinate;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;1,1-difluoroethane;bis(1,1-difluoroethylbenzene);1-(1,1-difluoroethyl)-2,3-bis(trifluoromethyl)benzene;3H-indazole;indene-1,3-dione;naphthalene;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyridazine;pyridine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrimidine;quinazoline;quinoline;styrene;sulfur dioxide;1,3,5-triazine;1,2,3-trifluorobenzene
CID 157944307
Acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
CID 158004282
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole?
The IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole (CID 161005011) is 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole.
What is the SMILES notation for 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole?
The canonical SMILES for 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ccnc1.Cn1ccnc1C(C)(C)C.Cn1cnc2ccccc21.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1.
What is the InChIKey of 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole?
The InChIKey is TWJUHUJXMDYHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H16N2.C11H13NO.C11H13NS.C10H14.4C9H7N.C8H8N2.C8H14N2.4C8H12N2.C7H5NO.C7H11NO.C7H5NS.C7H11NS.10C5H12.C4H6N2.C3H3NO.C3H3NS/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-10-6-9-7-4-2-3-5-8(7)10;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;10*1-5(2,3)4;1-6-3-2-5-4-6;2*1-2-5-3-4-1/h4-9H,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-8H,1-3H3;4*1-7H;2-6H,1H3;5-6H,1-4H3;4*4-6H,1-3H3;1-5H;4-5H,1-3H3;1-5H;4-5H,1-3H3;10*1-4H3;2-4H,1H3;2*1-3H.
What are the key properties of 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole?
1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole has a molecular weight of 3684.65 g/mol, XLogP of 66.73, 0 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylisoquinoline;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);isoquinoline;1-methylbenzimidazole;1-methylimidazole;1,3-oxazole;quinoline;1,3-thiazole is sourced from PubChem (CID 161005011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).