ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

C89H133N13OS5 — CID 167654351

IUPACethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccn2n1.CC(C)c1cn2cnccc2n1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nccs1
InChIInChI=1S/C10H12N2.C10H11NO.2C10H11NS.C9H11N3.2C9H10N2S.C6H9NS.8C2H6/c1-8(2)10-7-9-5-3-4-6-12(9)11-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-5-12-6-10-4-3-9(12)11-8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-5(2)6-7-3-4-8-6;8*1-2/h3-8H,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;8*1-2H3
InChIKeyRARBZGZRTOJSLU-UHFFFAOYSA-N
MW1561.47 g/mol
LogP30.21
Rot. Bonds8

About ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 167654351) has the molecular formula C89H133N13OS5 and a molecular weight of 1561.47 g/mol. Its IUPAC name is ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Nameethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
PubChem CID167654351
Molecular FormulaC89H133N13OS5
Molecular Weight1561.47 g/mol
Exact Mass1559.94
IUPAC Nameethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccn2n1.CC(C)c1cn2cnccc2n1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nccs1
InChIInChI=1S/C10H12N2.C10H11NO.2C10H11NS.C9H11N3.2C9H10N2S.C6H9NS.8C2H6/c1-8(2)10-7-9-5-3-4-6-12(9)11-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-5-12-6-10-4-3-9(12)11-8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-5(2)6-7-3-4-8-6;8*1-2/h3-8H,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;8*1-2H3
InChIKeyRARBZGZRTOJSLU-UHFFFAOYSA-N
XLogP30.21
TPSA163.75 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001561.47
LogP ≤ 530.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;tetrakis(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 157130984
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
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
2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfinyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 158397330
dialuminum;diberyllium;tetrazinc;bis([2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide);bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);bis([2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide);bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide)
CID 159069487
Methanethiol;2-(4-methoxyphenyl)sulfanylpyrimidine;1-methyl-2-phenylsulfanylimidazole;methylsulfanylmethane;2-phenyl-5-phenylsulfanyl-1,3,4-oxadiazole;1-phenyl-5-phenylsulfanyltetrazole;2-phenylsulfanyl-1,3-benzothiazole;2-phenylsulfanyl-1,3-benzoxazole;2-phenylsulfanylpyrimidine;2-[4-(trifluoromethyl)phenyl]sulfanylpyrimidine
CID 159265886
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4-cyclopropyl-1,3-thiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-5-methyl-4-(trifluoromethyl)-1,3-thiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-thiazole
CID 159932616
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
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-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
CID 160389507
Heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
CID 160721412
2-Tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 160783516

Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (CID 167654351) is ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccn2n1.CC(C)c1cn2cnccc2n1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2s1.CC(C)c1nccs1.
What is the InChIKey of ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is RARBZGZRTOJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H11NO.2C10H11NS.C9H11N3.2C9H10N2S.C6H9NS.8C2H6/c1-8(2)10-7-9-5-3-4-6-12(9)11-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)8-5-12-6-10-4-3-9(12)11-8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-5(2)6-7-3-4-8-6;8*1-2/h3-8H,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;8*1-2H3.
What are the key properties of ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 1561.47 g/mol, XLogP of 30.21, 8 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 167654351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).