ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C68H128N14O3S3 — CID 165111402

About ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 165111402) has the molecular formula C68H128N14O3S3 and a molecular weight of 1286.07 g/mol. Its IUPAC name is ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• PubChem CID: 165111402
• Molecular Formula: C68H128N14O3S3
• Molecular Weight: 1286.07 g/mol
• Exact Mass: 1284.95
• IUPAC Name: ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/2C5H7N.3C4H6N2.3C4H5NO.3C4H5NS.11C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4;2*1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;11*1-2/h2,4H,3H2,1H3;3-4H,2H2,1H3;3*2-3H,1H3,(H,5,6);6*2-3H,1H3;11*1-2H3
• InChIKey: ZZZABBKFEHUDMD-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 227.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.07
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

The IUPAC name of ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 165111402) is ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

What is the SMILES notation for ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

The canonical SMILES for ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.CC1=CCN=C1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

The InChIKey is ZZZABBKFEHUDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.3C4H6N2.3C4H5NO.3C4H5NS.11C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-3-6-4;2*1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;11*1-2/h2,4H,3H2,1H3;3-4H,2H2,1H3;3*2-3H,1H3,(H,5,6);6*2-3H,1H3;11*1-2H3.

What are the key properties of ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1286.07 g/mol, XLogP of 23.13, 0 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 165111402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).