2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole

C52H93N19O3S3 — CID 158943608

About 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole (PubChem CID 158943608) has the molecular formula C52H93N19O3S3 and a molecular weight of 1128.65 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
• PubChem CID: 158943608
• Molecular Formula: C52H93N19O3S3
• Molecular Weight: 1128.65 g/mol
• Exact Mass: 1127.69
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1cccn1.Cn1cncn1
• InChI: InChI=1S/C5H6N2.2C4H6N2O.2C4H6N2S.2C4H6N2.C4H5NO.C4H5NS.C3H5N3.6C2H6/c1-5-6-3-2-4-7-5;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-6-4-2-3-5-6;3*1-4-5-2-3-6-4;1-6-3-4-2-5-6;6*1-2/h2-4H,1H3;4*1-2H3;2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;6*1-2H3
• InChIKey: JKODTBGZMHPJDA-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 271.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1128.65
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole (CID 158943608) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.Cc1ncc[nH]1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1.Cn1cccn1.Cn1cncn1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The InChIKey is JKODTBGZMHPJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.2C4H6N2O.2C4H6N2S.2C4H6N2.C4H5NO.C4H5NS.C3H5N3.6C2H6/c1-5-6-3-2-4-7-5;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-6-4-2-3-5-6;3*1-4-5-2-3-6-4;1-6-3-4-2-5-6;6*1-2/h2-4H,1H3;4*1-2H3;2-4H,1H3;2-3H,1H3,(H,5,6);3*2-3H,1H3;6*1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole has a molecular weight of 1128.65 g/mol, XLogP of 14.01, 0 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 158943608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).