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

C106H168N22OS4 — CID 163537637

About 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

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 (PubChem CID 163537637) has the molecular formula C106H168N22OS4 and a molecular weight of 1894.93 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 163537637
• Molecular Formula: C106H168N22OS4
• Molecular Weight: 1894.93 g/mol
• Exact Mass: 1893.27
• IUPAC Name: 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
• SMILES: C1=CCN=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.c1c[nH]cn1.c1ccncc1.c1cnc2scnc2c1.c1ncc2cn[nH]c2n1.c1ncc2cn[nH]c2n1
• InChI: InChI=1S/C10H12N2S.C10H14.C8H12N2.C7H11NO.C7H11NS.C6H4N2S.C6H10N2S.2C5H4N4.C5H5N.6C5H12.C4H5N.C3H4N2/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-6-9-4-5-10-7;2*1-7(2,3)6-8-4-5-9-6;1-2-5-6(7-3-1)9-4-8-5;1-6(2,3)5-8-7-4-9-5;2*1-4-2-8-9-5(4)7-3-6-1;1-2-4-6-5-3-1;6*1-5(2,3)4;1-2-4-5-3-1;1-2-5-3-4-1/h4-6H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;1-4H;4H,1-3H3;2*1-3H,(H,6,7,8,9);1-5H;6*1-4H3;1-3H,4H2;1-3H,(H,4,5)
• InChIKey: DYJCLQFSUBMQNL-UHFFFAOYSA-N
• XLogP: 30.83
• TPSA: 304.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.93
LogP ≤ 5	30.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C1=CCN=C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.c1c[nH]cn1.c1ccncc1.c1cnc2scnc2c1.c1ncc2cn[nH]c2n1.c1ncc2cn[nH]c2n1.

What is the InChIKey of 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?

The InChIKey is DYJCLQFSUBMQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.C10H14.C8H12N2.C7H11NO.C7H11NS.C6H4N2S.C6H10N2S.2C5H4N4.C5H5N.6C5H12.C4H5N.C3H4N2/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-6-9-4-5-10-7;2*1-7(2,3)6-8-4-5-9-6;1-2-5-6(7-3-1)9-4-8-5;1-6(2,3)5-8-7-4-9-5;2*1-4-2-8-9-5(4)7-3-6-1;1-2-4-6-5-3-1;6*1-5(2,3)4;1-2-4-5-3-1;1-2-5-3-4-1/h4-6H,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;1-4H;4H,1-3H3;2*1-3H,(H,6,7,8,9);1-5H;6*1-4H3;1-3H,4H2;1-3H,(H,4,5).

What are the key properties of 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?

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 has a molecular weight of 1894.93 g/mol, XLogP of 30.83, 0 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 163537637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).