2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane

C113H142F3N13OS — CID 158341924

IUPAC2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane
SMILESC.CC.CC.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2c(F)cccc2n1.CC(C)(C)c1ccc2cc(F)ccc2n1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.Cc1ccc2nc(C(C)(C)C)ccc2c1F
InChIInChI=1S/C14H16FN.2C13H14FN.2C12H14N2.2C11H14N2.C11H13NO.C11H13NS.2C2H6.CH4/c1-9-5-7-11-10(13(9)15)6-8-12(16-11)14(2,3)4;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)12-8-7-9-10(14)5-4-6-11(9)15-12;2*1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-2;/h5-8H,1-4H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;2*1-2H3;1H4
InChIKeyGRGPVEMSSSLUTR-UHFFFAOYSA-N
MW1787.53 g/mol
LogP31.85
Rot. Bonds

About 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane

2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane (PubChem CID 158341924) has the molecular formula C113H142F3N13OS and a molecular weight of 1787.53 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane
PubChem CID158341924
Molecular FormulaC113H142F3N13OS
Molecular Weight1787.53 g/mol
Exact Mass1786.11
IUPAC Name2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane
SMILESC.CC.CC.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2c(F)cccc2n1.CC(C)(C)c1ccc2cc(F)ccc2n1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.Cc1ccc2nc(C(C)(C)C)ccc2c1F
InChIInChI=1S/C14H16FN.2C13H14FN.2C12H14N2.2C11H14N2.C11H13NO.C11H13NS.2C2H6.CH4/c1-9-5-7-11-10(13(9)15)6-8-12(16-11)14(2,3)4;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)12-8-7-9-10(14)5-4-6-11(9)15-12;2*1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-2;/h5-8H,1-4H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;2*1-2H3;1H4
InChIKeyGRGPVEMSSSLUTR-UHFFFAOYSA-N
XLogP31.85
TPSA163.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.53
LogP ≤ 531.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine
CID 158953604
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine
CID 159741600
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-6,7,8-trimethylquinoline
CID 158344750
2-tert-butyl-7-fluoro-1,5-naphthyridine
CID 171406590
CID 156790925
CID 156790925
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole
CID 167547125
1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline
CID 159972290
2,7-ditert-butylquinoxaline
CID 134411063
2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-1,3-benzothiazole
CID 11781873
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;bis(1-tert-butylcyclopenta-1,3-diene);tert-butylcyclopentane;3-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene
CID 165104121
2,7-ditert-butyl-1,5-naphthyridine
CID 171466000
2-tert-butylquinoline;methane
CID 164995315

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane (CID 158341924) is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane is C.CC.CC.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2c(F)cccc2n1.CC(C)(C)c1ccc2cc(F)ccc2n1.CC(C)(C)c1ccc2occc2n1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1nc2ccccc2s1.Cc1ccc2nc(C(C)(C)C)ccc2c1F.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane?
The InChIKey is GRGPVEMSSSLUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN.2C13H14FN.2C12H14N2.2C11H14N2.C11H13NO.C11H13NS.2C2H6.CH4/c1-9-5-7-11-10(13(9)15)6-8-12(16-11)14(2,3)4;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)12-8-7-9-10(14)5-4-6-11(9)15-12;2*1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-5-4-9-8(12-10)6-7-13-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;2*1-2;/h5-8H,1-4H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;2*1-2H3;1H4.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane?
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane has a molecular weight of 1787.53 g/mol, XLogP of 31.85, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-5-fluoro-6-methylquinoline;2-tert-butyl-5-fluoroquinoline;2-tert-butyl-6-fluoroquinoline;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;bis(2-tert-butylquinoxaline);ethane;methane is sourced from PubChem (CID 158341924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).