2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C31H47N5OS3 — CID 159979213

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

2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 159979213) has the molecular formula C31H47N5OS3 and a molecular weight of 601.95 g/mol. Its IUPAC name is 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• PubChem CID: 159979213
• Molecular Formula: C31H47N5OS3
• Molecular Weight: 601.95 g/mol
• Exact Mass: 601.29
• IUPAC Name: 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• SMILES: CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1nccs1.CC(C)c1nncs1
• InChI: InChI=1S/C7H10O.C7H10S.C6H10N2.C6H9NS.C5H8N2S/c2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3
• InChIKey: OFNUNTSPHOYOFQ-UHFFFAOYSA-N
• XLogP: 10.74
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.95
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 159979213) is 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

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

The canonical SMILES for 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1nccs1.CC(C)c1nncs1.

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

The InChIKey is OFNUNTSPHOYOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C7H10S.C6H10N2.C6H9NS.C5H8N2S/c2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3.

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

2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 601.95 g/mol, XLogP of 10.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 159979213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).