5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene

C56H91N7O3S3 — CID 160666446

IUPAC5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene
SMILESCC(C)(C)c1cccs1.CC(C)(C)c1cnoc1.CC(C)(C)c1nccs1.CC(C)c1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C10H17NO.C8H14N2.C8H13NO.C8H13NS.C8H12S.C7H11NO.C7H11NS/c1-7(2)8-6-9(12-11-8)10(3,4)5;1-8(2,3)7-5-9-6-10(7)4;2*1-6-5-7(10-9-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h6-7H,1-5H3;5-6H,1-4H3;2*5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyRMJBZSPAFDVNRU-UHFFFAOYSA-N
MW1006.59 g/mol
LogP17.30
Rot. Bonds1

About 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene

5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene (PubChem CID 160666446) has the molecular formula C56H91N7O3S3 and a molecular weight of 1006.59 g/mol. Its IUPAC name is 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene.

Molecular Properties

Compound Name5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene
PubChem CID160666446
Molecular FormulaC56H91N7O3S3
Molecular Weight1006.59 g/mol
Exact Mass1005.63
IUPAC Name5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene
SMILESCC(C)(C)c1cccs1.CC(C)(C)c1cnoc1.CC(C)(C)c1nccs1.CC(C)c1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C10H17NO.C8H14N2.C8H13NO.C8H13NS.C8H12S.C7H11NO.C7H11NS/c1-7(2)8-6-9(12-11-8)10(3,4)5;1-8(2,3)7-5-9-6-10(7)4;2*1-6-5-7(10-9-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h6-7H,1-5H3;5-6H,1-4H3;2*5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyRMJBZSPAFDVNRU-UHFFFAOYSA-N
XLogP17.30
TPSA121.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001006.59
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene with MolForge

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Related Compounds

1-(2,2-Difluoroethyl)-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-yltriazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
CID 157574225
1-(2,2-Difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
CID 158483440
1-(2,2-Difluoroethyl)-4-propan-2-ylimidazole;1-ethyl-4-propan-2-yltriazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;(2-propan-2-yl-1,3-thiazol-5-yl)methanol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;(4-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazole
CID 158934274
ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157238350
ethane;methane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157580533
1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;5-methyl-3H-pyrrole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene
CID 158736226
2-Tert-butyl-5-chloro-1,3-thiazole;2-tert-butyl-5-fluoro-1,3-thiazole;2-tert-butyl-3-fluorothiophene;2-tert-butyl-4-fluorothiophene;2-tert-butyl-1-methylimidazole;3-tert-butyl-5-methyl-1,2-oxazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;2-tert-butyl-1,3-thiazole;methane
CID 158852406
5-Tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 158948382
1-ethyl-4-propan-2-ylimidazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylthiophene;1-ethyl-4-propan-2-yltriazole;1-(2-fluoropropyl)-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-5-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;2-methylsulfanyl-4-propan-2-yl-1,3-thiazole;4-methyl-1,3-thiazole;2-propan-2-ylfuran;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159614703
5-Tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 159673242
2,5-Dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);3,4-dimethyl-1,2-oxazole;bis(3,5-dimethyl-1,2-oxazole);4,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole;3,4-dimethyl-1,2,5-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,4-dimethyl-1,2-thiazole;bis(3,5-dimethyl-1,2-thiazole);4,5-dimethyl-1,2-thiazole;bis(2,3-dimethylthiophene);bis(2,4-dimethylthiophene);2,5-dimethylthiophene;3,4-dimethylthiophene
CID 160000748
5-Tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 160010231

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The IUPAC name of 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene (CID 160666446) is 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene.
What is the SMILES notation for 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The canonical SMILES for 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene is CC(C)(C)c1cccs1.CC(C)(C)c1cnoc1.CC(C)(C)c1nccs1.CC(C)c1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cn1cncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The InChIKey is RMJBZSPAFDVNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C8H14N2.C8H13NO.C8H13NS.C8H12S.C7H11NO.C7H11NS/c1-7(2)8-6-9(12-11-8)10(3,4)5;1-8(2,3)7-5-9-6-10(7)4;2*1-6-5-7(10-9-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6/h6-7H,1-5H3;5-6H,1-4H3;2*5H,1-4H3;4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene has a molecular weight of 1006.59 g/mol, XLogP of 17.30, 1 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene is sourced from PubChem (CID 160666446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).