3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole

C54H91N17O4S7 — CID 157180356

About 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole

3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole (PubChem CID 157180356) has the molecular formula C54H91N17O4S7 and a molecular weight of 1266.91 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole
• PubChem CID: 157180356
• Molecular Formula: C54H91N17O4S7
• Molecular Weight: 1266.91 g/mol
• Exact Mass: 1265.55
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole
• SMILES: CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnsc1.Cc1nnc(C)s1.Cc1nnsc1C.Cc1nnsc1C.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C4H6N2O.5C4H6N2S.3C4H5NO.2C4H5NS.5C2H6/c1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;2*1-3-4(2)7-6-5-3;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;5*1-2/h6*1-2H3;5*2-3H,1H3;5*1-2H3
• InChIKey: AOMQIMLZPGRAEU-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 271.69 Ų
• H-Bond Acceptors: 28
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1266.91
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole?

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole (CID 157180356) is 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole.

What is the SMILES notation for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole?

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole is CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccon1.Cc1ccsn1.Cc1cnoc1.Cc1cnsc1.Cc1nnc(C)s1.Cc1nnsc1C.Cc1nnsc1C.Cc1noc(C)n1.Cc1nsc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole?

The InChIKey is AOMQIMLZPGRAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.5C4H6N2S.3C4H5NO.2C4H5NS.5C2H6/c1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;2*1-3-4(2)7-6-5-3;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;5*1-2/h6*1-2H3;5*2-3H,1H3;5*1-2H3.

What are the key properties of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole?

3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole has a molecular weight of 1266.91 g/mol, XLogP of 17.44, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;bis(3,5-dimethyl-1,2,4-thiadiazole);bis(4,5-dimethylthiadiazole);ethane;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole is sourced from PubChem (CID 157180356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).