5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine

C211H269N27O4S3 — CID 159050342

IUPAC5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nonc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC1=NCc2ccc(C(C)(C)C)cc21.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/2C13H18N2.C13H17N.C13H16.4C12H16N2.2C12H15NO.C12H15N.2C11H14N2.C11H13NO.2C11H13NS.C10H12N2O.C10H12N2S/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;2*1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h2*6-8H,1-5H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4*5-8H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyJXEKVDHQFAVDKN-UHFFFAOYSA-N
MW3343.86 g/mol
LogP56.13
Rot. Bonds

About 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine

5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine (PubChem CID 159050342) has the molecular formula C211H269N27O4S3 and a molecular weight of 3343.86 g/mol. Its IUPAC name is 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine
PubChem CID159050342
Molecular FormulaC211H269N27O4S3
Molecular Weight3343.86 g/mol
Exact Mass3341.08
IUPAC Name5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nonc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC1=NCc2ccc(C(C)(C)C)cc21.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/2C13H18N2.C13H17N.C13H16.4C12H16N2.2C12H15NO.C12H15N.2C11H14N2.C11H13NO.2C11H13NS.C10H12N2O.C10H12N2S/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;2*1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h2*6-8H,1-5H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4*5-8H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyJXEKVDHQFAVDKN-UHFFFAOYSA-N
XLogP56.13
TPSA334.81 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003343.86
LogP ≤ 556.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 157966551
CID 158633368
CID 158633368
CID 158717243
CID 158717243
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;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)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;2-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]-3-phenylbenzimidazole-5-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 162122198
2-[8-(1,3-Benzothiazol-2-yl)-7-naphthalen-1-ylsulfanyl-6-(1,2,5-oxadiazol-3-yl)-3-quinazolin-2-ylquinoxalin-2-yl]-1,3-benzoxazole
CID 141045094
2-[6-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-4-(1H-benzotriazol-4-yl)-7-(1H-imidazol-2-yl)-5-(1H-indazol-3-yl)quinolin-2-yl]-1,3-benzoxazole
CID 141279408
6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
CID 157058602
2-isoquinolin-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-(1-methylbenzimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;hexakis(platinum(2+));2-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-[11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole
CID 157058840
2-[6-(1,3-Benzothiazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzoxazole;2-[1,6-bis(9,9-dimethylacridin-10-yl)-8-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenanthren-3-yl]-[1,3]oxazolo[5,4-b]pyridine;10-[6-(9,9-dimethylacridin-10-yl)-3,8-bis(1-phenylbenzimidazol-2-yl)phenanthren-1-yl]-9,9-dimethylacridine
CID 157063066

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine (CID 159050342) is 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine is CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nonc2c1.CC(C)(C)c1ccc2nsnc2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC1=NCc2ccc(C(C)(C)C)cc21.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine?
The InChIKey is JXEKVDHQFAVDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2.C13H17N.C13H16.4C12H16N2.2C12H15NO.C12H15N.2C11H14N2.C11H13NO.2C11H13NS.C10H12N2O.C10H12N2S/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;1-9-12-7-11(13(2,3)4)6-5-10(12)8-14-9;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;2*1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-10(2,3)7-4-5-8-9(6-7)12-13-11-8/h2*6-8H,1-5H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4*5-8H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine?
5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine has a molecular weight of 3343.86 g/mol, XLogP of 56.13, 0 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,1,3-benzothiadiazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,1,3-benzoxadiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole;5-tert-butylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 159050342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).