5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole

C45H60N18O4S5 — CID 158699993

About 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole

5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole (PubChem CID 158699993) has the molecular formula C45H60N18O4S5 and a molecular weight of 1077.43 g/mol. Its IUPAC name is 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
• PubChem CID: 158699993
• Molecular Formula: C45H60N18O4S5
• Molecular Weight: 1077.43 g/mol
• Exact Mass: 1076.36
• IUPAC Name: 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
• SMILES: Cc1ccn[nH]1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1csnn1.Cc1ncon1.Cc1ncsn1
• InChI: InChI=1S/3C4H6N2.3C4H5NO.3C4H5NS.C3H4N2O.2C3H4N2S/c1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;2*1-3-4-2-6-5-3;1-3-2-6-5-4-3/h3*2-3H,1H3,(H,5,6);6*2-3H,1H3;3*2H,1H3
• InChIKey: IHKOVLWEEVFWGN-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 293.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.43
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole?

The IUPAC name of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole (CID 158699993) is 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole.

What is the SMILES notation for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole?

The canonical SMILES for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole is Cc1ccn[nH]1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1csnn1.Cc1ncon1.Cc1ncsn1.

What is the InChIKey of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole?

The InChIKey is IHKOVLWEEVFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6N2.3C4H5NO.3C4H5NS.C3H4N2O.2C3H4N2S/c1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;2*1-3-4-2-6-5-3;1-3-2-6-5-4-3/h3*2-3H,1H3,(H,5,6);6*2-3H,1H3;3*2H,1H3.

What are the key properties of 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole?

5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole has a molecular weight of 1077.43 g/mol, XLogP of 11.53, 0 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole is sourced from PubChem (CID 158699993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).