1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

C60H98N18O2S4 — CID 158536248

About 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 158536248) has the molecular formula C60H98N18O2S4 and a molecular weight of 1231.84 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• PubChem CID: 158536248
• Molecular Formula: C60H98N18O2S4
• Molecular Weight: 1231.84 g/mol
• Exact Mass: 1230.70
• IUPAC Name: 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• SMILES: CC.CC.CC.CC.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccno1.Cc1ccns1.Cc1ccsn1.Cc1ccsn1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnsc1.Cc1ncco1.Cn1cccn1.Cn1cccn1
• InChI: InChI=1S/4C5H8N2.2C4H6N2.2C4H5NO.4C4H5NS.4C2H6/c2*1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;2*1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;2*1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2/h4*3-4H,1-2H3;2*2-4H,1H3;6*2-3H,1H3;4*1-2H3
• InChIKey: HNZBGFWYFKIKJB-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 210.54 Ų
• H-Bond Acceptors: 24
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1231.84
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

The IUPAC name of 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 158536248) is 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

What is the SMILES notation for 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

The canonical SMILES for 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is CC.CC.CC.CC.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccno1.Cc1ccns1.Cc1ccsn1.Cc1ccsn1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnsc1.Cc1ncco1.Cn1cccn1.Cn1cccn1.

What is the InChIKey of 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

The InChIKey is HNZBGFWYFKIKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H8N2.2C4H6N2.2C4H5NO.4C4H5NS.4C2H6/c2*1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;2*1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;2*1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2/h4*3-4H,1-2H3;2*2-4H,1H3;6*2-3H,1H3;4*1-2H3.

What are the key properties of 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 1231.84 g/mol, XLogP of 15.63, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpyrazole;bis(1,4-dimethylpyrazole);1,5-dimethylpyrazole;ethane;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;bis(1-methylpyrazole);bis(3-methyl-1,2-thiazole);4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 158536248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).