3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine

C34H49N7S2 — CID 161052830

About 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine

3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine (PubChem CID 161052830) has the molecular formula C34H49N7S2 and a molecular weight of 619.95 g/mol. Its IUPAC name is 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine
• PubChem CID: 161052830
• Molecular Formula: C34H49N7S2
• Molecular Weight: 619.95 g/mol
• Exact Mass: 619.35
• IUPAC Name: 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine
• SMILES: CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)c1ncncn1
• InChI: InChI=1S/2C8H11N.C6H9N3.2C6H9NS/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h2*3-7H,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3
• InChIKey: UCJBJTWVKTWULI-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 90.23 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.95
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine?

The IUPAC name of 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine (CID 161052830) is 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine.

What is the SMILES notation for 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine?

The canonical SMILES for 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine is CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)c1ncncn1.

What is the InChIKey of 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine?

The InChIKey is UCJBJTWVKTWULI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.C6H9N3.2C6H9NS/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h2*3-7H,1-2H3;3-5H,1-2H3;2*3-5H,1-2H3.

What are the key properties of 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine?

3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine has a molecular weight of 619.95 g/mol, XLogP of 9.94, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 161052830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).