2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole

C83H138N10O3S4 — CID 159615205

IUPAC2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cc1ncco1.Cc1nccs1.Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C13H15N.C11H13NS.C10H12N2S.C7H12N2O.C7H11NO.C7H11NS.2C5H12.C4H5NO.C4H5NS.5C2H6/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-5-8-6(10-9-5)7(2,3)4;2*1-7(2,3)6-8-4-5-9-6;2*1-5(2,3)4;2*1-4-5-2-3-6-4;5*1-2/h4-9H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-4H3;2*4-5H,1-3H3;2*1-4H3;2*2-3H,1H3;5*1-2H3
InChIKeyMNEUJBVZYQFYEY-UHFFFAOYSA-N
MW1452.35 g/mol
LogP27.87
Rot. Bonds

About 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole

2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole (PubChem CID 159615205) has the molecular formula C83H138N10O3S4 and a molecular weight of 1452.35 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole
PubChem CID159615205
Molecular FormulaC83H138N10O3S4
Molecular Weight1452.35 g/mol
Exact Mass1450.98
IUPAC Name2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cc1ncco1.Cc1nccs1.Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C13H15N.C11H13NS.C10H12N2S.C7H12N2O.C7H11NO.C7H11NS.2C5H12.C4H5NO.C4H5NS.5C2H6/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-5-8-6(10-9-5)7(2,3)4;2*1-7(2,3)6-8-4-5-9-6;2*1-5(2,3)4;2*1-4-5-2-3-6-4;5*1-2/h4-9H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-4H3;2*4-5H,1-3H3;2*1-4H3;2*2-3H,1H3;5*1-2H3
InChIKeyMNEUJBVZYQFYEY-UHFFFAOYSA-N
XLogP27.87
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.35
LogP ≤ 527.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

Tripotassium;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2,4-thiadiazole;5-tert-butyl-3-methyl-1,2,4-thiadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;carbanide;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole
CID 157277371
2,4-Bis(2,6-dimethylphenyl)-1,6-dimethyl-1,3,5-triazin-1-ium;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethyl-3-phenylbenzimidazol-1-ium;1,2-dimethyl-3-phenylimidazol-1-ium;3,4-dimethyl-1-phenylimidazol-1-ium;2,3-dimethyl-1,3-thiazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylimidazol-3-ium
CID 157402023
ethane;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;1-methylisoquinoline;2-methyl-1,3-oxazole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;pyridine
CID 157461701
5-Chloro-2-methylpyridine;1,2-dimethylimidazole;2,6-dimethylpyridine;2-methyl-1,3-benzothiazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methylquinoline;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine
CID 157619177
2-Tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;methane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole
CID 157705232
2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;3-methylquinoline;2-methylquinoxaline;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
CID 157726687
4-(3-Butan-2-ylindol-1-id-7-yl)-2-methyl-1,3-thiazole;[2-[2-(3-methylbutan-2-yl)-1,3-thiazol-4-yl]phenyl]-phenylazanide;2-methyl-4-[4-(3-methylbutan-2-yl)imidazol-1-id-2-yl]oxy-1-phenylimidazole;2-methyl-4-[2-[4-(3-methylbutyl)imidazol-1-id-2-yl]propan-2-yl]-1,3-oxazole;palladium;platinum
CID 157875121
3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;1-methylisoquinoline;2-methyl-1,3-oxazole;5-methyl-2H-pyrrole;2-methyl-1,3-thiazole;pyridine
CID 157876359
Benzene;ethane;imidazo[1,2-a]pyridine;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinazoline;1,3-thiazole
CID 158313339
2-Tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole
CID 158390712
Benzene;ethane;imidazo[1,2-a]pyridine;methane;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
CID 159606194
CID 160521295
CID 160521295

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole (CID 159615205) is 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cc1ncco1.Cc1nccs1.Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole?
The InChIKey is MNEUJBVZYQFYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H13NS.C10H12N2S.C7H12N2O.C7H11NO.C7H11NS.2C5H12.C4H5NO.C4H5NS.5C2H6/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-5-8-6(10-9-5)7(2,3)4;2*1-7(2,3)6-8-4-5-9-6;2*1-5(2,3)4;2*1-4-5-2-3-6-4;5*1-2/h4-9H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-4H3;2*4-5H,1-3H3;2*1-4H3;2*2-3H,1H3;5*1-2H3.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole?
2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole has a molecular weight of 1452.35 g/mol, XLogP of 27.87, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;bis(2,2-dimethylpropane);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole is sourced from PubChem (CID 159615205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).