2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene

C96H148N12O2S2 — CID 158094914

IUPAC2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=N1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1
InChIInChI=1S/2C9H13N.C9H14.2C8H12N2.2C8H13N.C8H12O.C8H12S.C7H12N2.C7H11NO.C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-9-5-8-6/h2*4-7H,1-3H3;4,6-7H,5H2,1-3H3;2*4-6H,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;4H,5H2,1-3H3;2*4-5H,1-3H3
InChIKeyFOOAGMUWLZWPAT-UHFFFAOYSA-N
MW1566.46 g/mol
LogP28.08
Rot. Bonds

About 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene

2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene (PubChem CID 158094914) has the molecular formula C96H148N12O2S2 and a molecular weight of 1566.46 g/mol. Its IUPAC name is 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene.

Molecular Properties

Compound Name2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene
PubChem CID158094914
Molecular FormulaC96H148N12O2S2
Molecular Weight1566.46 g/mol
Exact Mass1565.13
IUPAC Name2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene
SMILESCC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=N1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1
InChIInChI=1S/2C9H13N.C9H14.2C8H12N2.2C8H13N.C8H12O.C8H12S.C7H12N2.C7H11NO.C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-9-5-8-6/h2*4-7H,1-3H3;4,6-7H,5H2,1-3H3;2*4-6H,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;4H,5H2,1-3H3;2*4-5H,1-3H3
InChIKeyFOOAGMUWLZWPAT-UHFFFAOYSA-N
XLogP28.08
TPSA178.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001566.46
LogP ≤ 528.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 157096905
2,3-Dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157401617
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157483645
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 157814036
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylcyclopenta-1,3-diene;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;toluene
CID 157973021
cyclopenta-1,3-diene;decakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157975810
2-Tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine
CID 158250803
2,4-Dimethyl-1,3-thiazole;4-ethylmorpholine;1-ethylpyrrolidine;1-fluoro-4-methylbenzene;methane;2-methylfuran;3-methylfuran;2-methylpyridine;bis(3-methylpyridine);bis(4-methylpyridine);2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 158605471
6-Tert-butyl-2,3-dimethylpyridine;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-propan-2-yloxypyridine;1-tert-butylpyrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;5-fluoro-2-propan-2-ylpyridine
CID 158623262
1-(6H-1-benzothiophen-6-id-5-yl)-3-[2-[1-(6H-1-benzothiophen-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazole;1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-3-[2-[1-(2-tert-butyl-6H-1-benzofuran-6-id-5-yl)-5-phenylpyrazol-3-yl]propan-2-yl]-5-phenylpyrazole;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzothiazol-6-id-5-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzothiazol-6-ide;2-tert-butyl-5-[3-[2-[1-(2-tert-butyl-6H-1,3-benzoxazol-6-id-7-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-6H-1,3-benzoxazol-6-ide;tetrakis(platinum(2+))
CID 158783916
Benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane;furan;methane;1,3-oxazole;pyridine;1,3-thiazole;thiophene
CID 158883727
4,5-Di(propan-2-yl)-1,3-dioxole;2,3-di(propan-2-yl)furan;bis(4,5-di(propan-2-yl)-1,3-oxazole);2,3-di(propan-2-yl)pyridine;bis(4,5-di(propan-2-yl)-1,3-thiazole);2,3-di(propan-2-yl)thiophene
CID 159058471

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene?
The IUPAC name of 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene (CID 158094914) is 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene.
What is the SMILES notation for 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene?
The canonical SMILES for 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene is CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=N1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccnnc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.
What is the InChIKey of 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene?
The InChIKey is FOOAGMUWLZWPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13N.C9H14.2C8H12N2.2C8H13N.C8H12O.C8H12S.C7H12N2.C7H11NO.C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-9-5-8-6/h2*4-7H,1-3H3;4,6-7H,5H2,1-3H3;2*4-6H,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;2*4-6H,1-3H3;4H,5H2,1-3H3;2*4-5H,1-3H3.
What are the key properties of 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene?
2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene has a molecular weight of 1566.46 g/mol, XLogP of 28.08, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene is sourced from PubChem (CID 158094914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).