1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine

C79H136N20S3 — CID 159089311

About 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine

1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine (PubChem CID 159089311) has the molecular formula C79H136N20S3 and a molecular weight of 1462.30 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine.

Molecular Properties

• Compound Name: 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
• PubChem CID: 159089311
• Molecular Formula: C79H136N20S3
• Molecular Weight: 1462.30 g/mol
• Exact Mass: 1461.04
• IUPAC Name: 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)n1.Cc1ccncc1.Cc1ccncn1.Cc1ccnn1C.Cc1cnc(C)s1.Cc1cncnc1.Cc1cnn(C)c1.Cc1ncccn1.Cc1nsc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/3C6H7N.C5H8N2.C5H6N2.2C5H8N2.2C5H6N2.C5H7NS.2C4H6N2S.9C2H6/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;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3;9*1-2/h3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;3H,1-2H3;2*1-2H3;9*1-2H3
• InChIKey: KBVVYRQWIPYWNR-UHFFFAOYSA-N
• XLogP: 22.02
• TPSA: 233.92 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1462.30
LogP ≤ 5	22.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine?

The IUPAC name of 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine (CID 159089311) is 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine.

What is the SMILES notation for 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine?

The canonical SMILES for 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)n1.Cc1ccncc1.Cc1ccncn1.Cc1ccnn1C.Cc1cnc(C)s1.Cc1cncnc1.Cc1cnn(C)c1.Cc1ncccn1.Cc1nsc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine?

The InChIKey is KBVVYRQWIPYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C5H8N2.C5H6N2.2C5H8N2.2C5H6N2.C5H7NS.2C4H6N2S.9C2H6/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;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-4-3-6-5(2)7-4;2*1-3-5-4(2)7-6-3;9*1-2/h3*2-5H,1H3;3-4H,1-2H3;2-4H,1H3;2*3-4H,1-2H3;2*2-4H,1H3;3H,1-2H3;2*1-2H3;9*1-2H3.

What are the key properties of 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine?

1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine has a molecular weight of 1462.30 g/mol, XLogP of 22.02, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1,2,4-thiadiazole);2,5-dimethyl-1,3-thiazole;ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine is sourced from PubChem (CID 159089311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).