methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C72H111N9O3S5 — CID 159983722

About methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 159983722) has the molecular formula C72H111N9O3S5 and a molecular weight of 1311.07 g/mol. Its IUPAC name is methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• PubChem CID: 159983722
• Molecular Formula: C72H111N9O3S5
• Molecular Weight: 1311.07 g/mol
• Exact Mass: 1309.74
• IUPAC Name: methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• SMILES: C.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1
• InChI: InChI=1S/2C7H11N.2C7H10O.C7H10S.C6H10N2.C6H9NO.4C6H9NS.CH4/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;/h2*3-6,8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;1H4
• InChIKey: OGBIBCSNKLUXJM-UHFFFAOYSA-N
• XLogP: 24.99
• TPSA: 164.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.07
LogP ≤ 5	24.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The IUPAC name of methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 159983722) is methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

What is the SMILES notation for methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The canonical SMILES for methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is C.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1nccs1.

What is the InChIKey of methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The InChIKey is OGBIBCSNKLUXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.2C7H10O.C7H10S.C6H10N2.C6H9NO.4C6H9NS.CH4/c1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;/h2*3-6,8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;1H4.

What are the key properties of methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 1311.07 g/mol, XLogP of 24.99, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 159983722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).