3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole

C54H76N10O4S6 — CID 158113386

About 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole

3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole (PubChem CID 158113386) has the molecular formula C54H76N10O4S6 and a molecular weight of 1121.67 g/mol. Its IUPAC name is 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole.

Molecular Properties

• Compound Name: 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole
• PubChem CID: 158113386
• Molecular Formula: C54H76N10O4S6
• Molecular Weight: 1121.67 g/mol
• Exact Mass: 1120.44
• IUPAC Name: 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole
• SMILES: Cc1cc(C)sn1.Cc1cnoc1C.Cc1conc1C.Cc1csnc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nn(C)c(C)c1C.Cc1nsc(C)c1C.Cc1sccc1C=O
• InChI: InChI=1S/C7H12N2.C6H9NS.C6H6OS.3C5H7NO.4C5H7NS/c1-5-6(2)8-9(4)7(5)3;1-4-5(2)7-8-6(4)3;1-5-6(4-7)2-3-8-5;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-5(2)7-6-4/h1-4H3;1-3H3;2-4H,1H3;7*3H,1-2H3
• InChIKey: FQSBRIMHRQTQFO-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 177.43 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 1
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.67
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole?

The IUPAC name of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole (CID 158113386) is 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole.

What is the SMILES notation for 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole?

The canonical SMILES for 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole is Cc1cc(C)sn1.Cc1cnoc1C.Cc1conc1C.Cc1csnc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.Cc1nn(C)c(C)c1C.Cc1nsc(C)c1C.Cc1sccc1C=O.

What is the InChIKey of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole?

The InChIKey is FQSBRIMHRQTQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H9NS.C6H6OS.3C5H7NO.4C5H7NS/c1-5-6(2)8-9(4)7(5)3;1-4-5(2)7-8-6(4)3;1-5-6(4-7)2-3-8-5;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-5(2)7-6-4/h1-4H3;1-3H3;2-4H,1H3;7*3H,1-2H3.

What are the key properties of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole?

3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole has a molecular weight of 1121.67 g/mol, XLogP of 16.20, 1 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-thiazole;3,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);2-methylthiophene-3-carbaldehyde;1,3,4,5-tetramethylpyrazole;3,4,5-trimethyl-1,2-thiazole is sourced from PubChem (CID 158113386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).