1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane

C86H160N12O2S2 — CID 158307384

IUPAC1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1
InChIInChI=1S/C9H13N.2C8H12N2.C8H12S.2C7H12N2.2C7H11NO.C7H11NS.9C2H6/c1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;9*1-2/h4-7H,1-3H3;2*4-6H,1-3H3;3*4-6H,1-3H3;3*4-5H,1-3H3;9*1-2H3
InChIKeyGNGBVSSQUGBUPR-UHFFFAOYSA-N
MW1458.44 g/mol
LogP27.87
Rot. Bonds

About 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane

1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane (PubChem CID 158307384) has the molecular formula C86H160N12O2S2 and a molecular weight of 1458.44 g/mol. Its IUPAC name is 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane.

Molecular Properties

Compound Name1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane
PubChem CID158307384
Molecular FormulaC86H160N12O2S2
Molecular Weight1458.44 g/mol
Exact Mass1457.22
IUPAC Name1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1
InChIInChI=1S/C9H13N.2C8H12N2.C8H12S.2C7H12N2.2C7H11NO.C7H11NS.9C2H6/c1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;9*1-2/h4-7H,1-3H3;2*4-6H,1-3H3;3*4-6H,1-3H3;3*4-5H,1-3H3;9*1-2H3
InChIKeyGNGBVSSQUGBUPR-UHFFFAOYSA-N
XLogP27.87
TPSA165.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001458.44
LogP ≤ 527.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole
CID 161073560
1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole
CID 162098244
2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole
CID 157287344
1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;2-tert-butyltriazole;nonakis(2,2-dimethylpropane);furan;methane;2-methylfuran;1-methylimidazole;1-methylpyrrole;pyrazine;tris(pyridine);thiophene
CID 157391084
1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole
CID 161472010
tert-butylbenzene;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;ethane
CID 164964212
tert-butylbenzene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;methane
CID 159202689
1-tert-butylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole
CID 159269954
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;tris(5-tert-butyl-1H-1,2,4-triazole)
CID 161102414
5-tert-butyl-1-methylpyrazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;ethane;methane
CID 158312334
2-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;4-tert-butylpyrimidine;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole
CID 158148510
tert-butylbenzene;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;hexakis(2,2-dimethylpropane);1H-imidazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;[1,3]thiazolo[5,4-b]pyridine
CID 163537637

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane?
The IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane (CID 158307384) is 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane.
What is the SMILES notation for 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane?
The canonical SMILES for 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.
What is the InChIKey of 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane?
The InChIKey is GNGBVSSQUGBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.2C8H12N2.C8H12S.2C7H12N2.2C7H11NO.C7H11NS.9C2H6/c1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-8-4-5-9-6;9*1-2/h4-7H,1-3H3;2*4-6H,1-3H3;3*4-6H,1-3H3;3*4-5H,1-3H3;9*1-2H3.
What are the key properties of 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane?
1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane has a molecular weight of 1458.44 g/mol, XLogP of 27.87, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane is sourced from PubChem (CID 158307384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).