2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine

C153H194N18O3S2 — CID 157436775

IUPAC2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H18N2.C13H16.3C12H16N2.2C12H15NO.C12H15N.2C11H14N2.C11H13NO.2C11H13NS/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;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/h6-8H,1-5H3;4-8H,9H2,1-3H3;3*5-8H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3
InChIKeyBREWJJWAQMDASU-UHFFFAOYSA-N
MW2397.49 g/mol
LogP41.27
Rot. Bonds

About 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine

2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine (PubChem CID 157436775) has the molecular formula C153H194N18O3S2 and a molecular weight of 2397.49 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine
PubChem CID157436775
Molecular FormulaC153H194N18O3S2
Molecular Weight2397.49 g/mol
Exact Mass2395.50
IUPAC Name2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H18N2.C13H16.3C12H16N2.2C12H15NO.C12H15N.2C11H14N2.C11H13NO.2C11H13NS/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;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/h6-8H,1-5H3;4-8H,9H2,1-3H3;3*5-8H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3
InChIKeyBREWJJWAQMDASU-UHFFFAOYSA-N
XLogP41.27
TPSA222.11 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.49
LogP ≤ 541.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);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
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
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
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
2,3-dimethyl-1,3-benzothiazol-3-ium;2,3-dimethyl-2H-1,3-benzoxazole;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethylpyrimidin-1-ium;1,2-dimethyl-5-(trifluoromethyl)pyridin-1-ium;3-methyldithiol-1-ium;2-methyl-1,3-oxazole;2-methylpyrylium;2-methylthiopyrylium;1,2,3-trimethylbenzimidazol-3-ium;1,2,3-trimethyl-2H-imidazole-1,3-diium;1,2,3-trimethylpyrazol-1-ium;1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 160116091
CID 160156765
CID 160156765
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
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-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine (CID 157436775) is 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);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)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine?
The InChIKey is BREWJJWAQMDASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C13H16.3C12H16N2.2C12H15NO.C12H15N.2C11H14N2.C11H13NO.2C11H13NS/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;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/h6-8H,1-5H3;4-8H,9H2,1-3H3;3*5-8H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine?
2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine has a molecular weight of 2397.49 g/mol, XLogP of 41.27, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-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);5-tert-butylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157436775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).