1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene

C72H131N17O3S5 — CID 159280360

About 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene

1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene (PubChem CID 159280360) has the molecular formula C72H131N17O3S5 and a molecular weight of 1443.29 g/mol. Its IUPAC name is 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene.

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
• PubChem CID: 159280360
• Molecular Formula: C72H131N17O3S5
• Molecular Weight: 1443.29 g/mol
• Exact Mass: 1441.92
• IUPAC Name: 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1ccsc1.Cc1cn(C)cn1.Cc1cnn(C)c1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1nnsc1C.Cc1noc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C6H9N.3C5H8N2.C5H6S.C4H6N2O.2C4H6N2S.2C4H5NO.2C4H5NS.9C2H6/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-2-3-6-4-5;2*1-3-5-4(2)7-6-3;1-3-4(2)7-6-5-3;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;9*1-2/h3-5H,1-2H3;3*3-4H,1-2H3;2-4H,1H3;3*1-2H3;4*2-3H,1H3;9*1-2H3
• InChIKey: KYVKDDXIAXECBT-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 226.71 Ų
• H-Bond Acceptors: 25
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.29
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?

The IUPAC name of 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene (CID 159280360) is 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene.

What is the SMILES notation for 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?

The canonical SMILES for 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1ccsc1.Cc1cn(C)cn1.Cc1cnn(C)c1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1nnsc1C.Cc1noc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?

The InChIKey is KYVKDDXIAXECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.3C5H8N2.C5H6S.C4H6N2O.2C4H6N2S.2C4H5NO.2C4H5NS.9C2H6/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-2-3-6-4-5;2*1-3-5-4(2)7-6-3;1-3-4(2)7-6-5-3;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;9*1-2/h3-5H,1-2H3;3*3-4H,1-2H3;2-4H,1H3;3*1-2H3;4*2-3H,1H3;9*1-2H3.

What are the key properties of 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene?

1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene has a molecular weight of 1443.29 g/mol, XLogP of 22.68, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene is sourced from PubChem (CID 159280360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).