2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole

C51H64N20O3S3 — CID 158717600

About 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole

2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole (PubChem CID 158717600) has the molecular formula C51H64N20O3S3 and a molecular weight of 1101.41 g/mol. Its IUPAC name is 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
• PubChem CID: 158717600
• Molecular Formula: C51H64N20O3S3
• Molecular Weight: 1101.41 g/mol
• Exact Mass: 1100.46
• IUPAC Name: 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole
• SMILES: Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1nnco1.Cc1nncs1.Cn1cnnn1
• InChI: InChI=1S/2C6H7N.3C5H6N2.2C4H5NO.2C4H5NS.C3H4N2O.C3H4N2S.C2H4N4/c2*1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-3-2-4-6-7-5;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;2*1-3-5-4-2-6-3;1-6-2-3-4-5-6/h2*2-5H,1H3;3*2-4H,1H3;4*2-3H,1H3;3*2H,1H3
• InChIKey: IJMZFTSKGYGTRH-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 289.26 Ų
• H-Bond Acceptors: 26
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.41
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The IUPAC name of 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole (CID 158717600) is 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

What is the SMILES notation for 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The canonical SMILES for 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole is Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1nnco1.Cc1nncs1.Cn1cnnn1.

What is the InChIKey of 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The InChIKey is IJMZFTSKGYGTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.3C5H6N2.2C4H5NO.2C4H5NS.C3H4N2O.C3H4N2S.C2H4N4/c2*1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-3-2-4-6-7-5;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;2*1-3-5-4-2-6-3;1-6-2-3-4-5-6/h2*2-5H,1H3;3*2-4H,1H3;4*2-3H,1H3;3*2H,1H3.

What are the key properties of 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1101.41 g/mol, XLogP of 10.44, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1,3,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(3-methylpyridine);5-methylpyrimidine;1-methyltetrazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,2-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 158717600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).