ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole

C122H232N16OS — CID 158436560

IUPACethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole
SMILESC1CCNCC1.C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H12N2.C10H11NO.C10H11NS.2C9H11N3.2C7H6N2.2C5H11N.4C4H10.17C2H6/c3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12;2*1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-6-5-3-1;4*1-4(2)3;17*1-2/h3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;2*1-5H,(H,8,9);2*6H,1-5H2;4*4H,1-3H3;17*1-2H3
InChIKeyHCHJFMZRORLBLE-UHFFFAOYSA-N
MW1971.38 g/mol
LogP41.82
Rot. Bonds5

About ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole

ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole (PubChem CID 158436560) has the molecular formula C122H232N16OS and a molecular weight of 1971.38 g/mol. Its IUPAC name is ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole
PubChem CID158436560
Molecular FormulaC122H232N16OS
Molecular Weight1971.38 g/mol
Exact Mass1969.83
IUPAC Nameethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole
SMILESC1CCNCC1.C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H12N2.C10H11NO.C10H11NS.2C9H11N3.2C7H6N2.2C5H11N.4C4H10.17C2H6/c3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12;2*1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-6-5-3-1;4*1-4(2)3;17*1-2/h3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;2*1-5H,(H,8,9);2*6H,1-5H2;4*4H,1-3H3;17*1-2H3
InChIKeyHCHJFMZRORLBLE-UHFFFAOYSA-N
XLogP41.82
TPSA210.44 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001971.38
LogP ≤ 541.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole with MolForge

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Launch Full Analysis

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
3-bromo-5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-3-chloro-1,2,4-thiadiazole;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;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-5-methyl-4-(trifluoromethyl)-1,3-thiazole;5-tert-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-propan-2-yl-1,3-thiazole;5-tert-butyl-1,2,4-thiadiazole;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 157884927
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
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-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;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);bis(2-tert-butyl-5-methyl-1,3,4-thiadiazole);tetrakis(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 161707320
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;3-tert-butylquinoline;6-tert-butylquinoline;2,4-dimethylpentane;2-(2,2-dimethylpropyl)pyridine;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-4H-triazole;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide;2,2,3-trimethylbutane;N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165109275
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;pteridine
CID 69691011
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;2,3-dihydro-1H-isoindole
CID 70103853
2-[6-(1H-benzimidazol-2-yl)-8-(1,3-benzothiazol-2-yl)-2-(1-benzothiophen-2-yl)-1-(1H-indazol-3-yl)-7H-purin-2-yl]-1,3-benzoxazole
CID 141050969

Frequently Asked Questions

What is the IUPAC name of ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole (CID 158436560) is ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole is C1CCNCC1.C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole?
The InChIKey is HCHJFMZRORLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H11NO.C10H11NS.2C9H11N3.2C7H6N2.2C5H11N.4C4H10.17C2H6/c3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12;2*1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-6-5-3-1;4*1-4(2)3;17*1-2/h3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;2*1-5H,(H,8,9);2*6H,1-5H2;4*4H,1-3H3;17*1-2H3.
What are the key properties of ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole?
ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole has a molecular weight of 1971.38 g/mol, XLogP of 41.82, 5 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1H-indazole);tetrakis(2-methylpropane);bis(piperidine);2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 158436560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).