1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole

C57H91N13O3S2 — CID 160812197

About 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole

1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole (PubChem CID 160812197) has the molecular formula C57H91N13O3S2 and a molecular weight of 1070.58 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole
• PubChem CID: 160812197
• Molecular Formula: C57H91N13O3S2
• Molecular Weight: 1070.58 g/mol
• Exact Mass: 1069.68
• IUPAC Name: 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)C1=CCC=N1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnnn1C.Cc1nc(C(C)C)cs1
• InChI: InChI=1S/C7H12N2.C7H11NS.C7H11N.C7H10O.C6H10N2.2C6H9NO.C6H9NS.C5H10N4/c1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-9-6(3)8-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;3*1-5(2)6-7-3-4-8-6;1-4(2)5-6-7-8-9(5)3/h4-6H,1-3H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;4H,1-3H3
• InChIKey: SELBCBWHFGNASH-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 193.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1070.58
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole?

The IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole (CID 160812197) is 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole is CC(C)C1=CCC=N1.CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnnn1C.Cc1nc(C(C)C)cs1.

What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole?

The InChIKey is SELBCBWHFGNASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C7H11NS.C7H11N.C7H10O.C6H10N2.2C6H9NO.C6H9NS.C5H10N4/c1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-9-6(3)8-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;3*1-5(2)6-7-3-4-8-6;1-4(2)5-6-7-8-9(5)3/h4-6H,1-3H3;4-5H,1-3H3;4-6H,3H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;4H,1-3H3.

What are the key properties of 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole?

1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole has a molecular weight of 1070.58 g/mol, XLogP of 16.25, 9 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160812197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).