5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine

C90H152N14O2S2 — CID 158160445

IUPAC5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C8H13N.C8H12S.2C7H12N2.C7H11NO.C7H11NS.C5H5N.5C5H12.3C4H4N2.C4H4O/c2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-8-5-9-6;1-2-4-6-5-3-1;5*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1/h4-6,9H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;1-5H;5*1-4H3;3*1-4H;1-4H
InChIKeyFWEYSQVGWPDMTK-UHFFFAOYSA-N
MW1526.44 g/mol
LogP27.24
Rot. Bonds

About 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine

5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine (PubChem CID 158160445) has the molecular formula C90H152N14O2S2 and a molecular weight of 1526.44 g/mol. Its IUPAC name is 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine
PubChem CID158160445
Molecular FormulaC90H152N14O2S2
Molecular Weight1526.44 g/mol
Exact Mass1525.17
IUPAC Name5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C8H13N.C8H12S.2C7H12N2.C7H11NO.C7H11NS.C5H5N.5C5H12.3C4H4N2.C4H4O/c2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-8-5-9-6;1-2-4-6-5-3-1;5*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1/h4-6,9H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;1-5H;5*1-4H3;3*1-4H;1-4H
InChIKeyFWEYSQVGWPDMTK-UHFFFAOYSA-N
XLogP27.24
TPSA215.44 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.44
LogP ≤ 527.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine?
The IUPAC name of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine (CID 158160445) is 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine.
What is the SMILES notation for 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine?
The canonical SMILES for 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccs1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.c1ccncc1.c1ccnnc1.c1ccoc1.c1cnccn1.c1cncnc1.
What is the InChIKey of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine?
The InChIKey is FWEYSQVGWPDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C8H12S.2C7H12N2.C7H11NO.C7H11NS.C5H5N.5C5H12.3C4H4N2.C4H4O/c2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-4-8-5-9-6;1-2-4-6-5-3-1;5*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1/h4-6,9H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;1-5H;5*1-4H3;3*1-4H;1-4H.
What are the key properties of 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine?
5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine has a molecular weight of 1526.44 g/mol, XLogP of 27.24, 0 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-imidazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1H-pyrrole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;pentakis(2,2-dimethylpropane);furan;pyrazine;pyridazine;pyridine;pyrimidine is sourced from PubChem (CID 158160445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).