1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole

C86H154N18OS2 — CID 159112109

About 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole

1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole (PubChem CID 159112109) has the molecular formula C86H154N18OS2 and a molecular weight of 1520.44 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole
• PubChem CID: 159112109
• Molecular Formula: C86H154N18OS2
• Molecular Weight: 1520.44 g/mol
• Exact Mass: 1519.20
• IUPAC Name: 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=COCCS1.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)n1.Cc1ccncc1.Cc1ccncn1.Cc1ccnn1C.Cc1cnccn1.Cc1cncnc1.Cc1cnn(C)c1.Cc1ncccn1.Cc1nccs1
• InChI: InChI=1S/3C6H7N.C5H8N2.C5H6N2.2C5H8N2.3C5H6N2.C5H8OS.C4H5NS.12C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-4-6-2-3-7-5;1-4-5-2-3-6-4;12*1-2/h3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2*3-4H,1-2H3;3*2-4H,1H3;4H,2-3H2,1H3;2-3H,1H3;12*1-2H3
• InChIKey: KEPYWVZZMQUQFP-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 217.37 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.44
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole?

The IUPAC name of 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole (CID 159112109) is 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole.

What is the SMILES notation for 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole?

The canonical SMILES for 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=COCCS1.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)n1.Cc1ccncc1.Cc1ccncn1.Cc1ccnn1C.Cc1cnccn1.Cc1cncnc1.Cc1cnn(C)c1.Cc1ncccn1.Cc1nccs1.

What is the InChIKey of 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole?

The InChIKey is KEPYWVZZMQUQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C5H8N2.C5H6N2.2C5H8N2.3C5H6N2.C5H8OS.C4H5NS.12C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-5-4-6-2-3-7-5;1-4-5-2-3-6-4;12*1-2/h3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2*3-4H,1-2H3;3*2-4H,1H3;4H,2-3H2,1H3;2-3H,1H3;12*1-2H3.

What are the key properties of 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole?

1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole has a molecular weight of 1520.44 g/mol, XLogP of 24.87, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;ethane;5-methyl-2,3-dihydro-1,4-oxathiine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole is sourced from PubChem (CID 159112109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).