ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene

C119H262N8O6S7 — CID 158377638

About ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene

ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene (PubChem CID 158377638) has the molecular formula C119H262N8O6S7 and a molecular weight of 2125.92 g/mol. Its IUPAC name is ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene.

Molecular Properties

• Compound Name: ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene
• PubChem CID: 158377638
• Molecular Formula: C119H262N8O6S7
• Molecular Weight: 2125.92 g/mol
• Exact Mass: 2123.85
• IUPAC Name: ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC=NS1.CC1CCCS1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1ncco1
• InChI: InChI=1S/2C5H6O.C5H6S.C5H10S.C5H6S.4C4H5NO.3C4H5NS.C4H7NS.31C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;31*1-2/h3*2-4H,1H3;5H,2-4H2,1H3;2-4H,1H3;7*2-3H,1H3;3-4H,2H2,1H3;31*1-2H3
• InChIKey: GVJZKUZPSQECMT-UHFFFAOYSA-N
• XLogP: 50.79
• TPSA: 181.43 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.92
LogP ≤ 5	50.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene?

The IUPAC name of ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene (CID 158377638) is ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene.

What is the SMILES notation for ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene?

The canonical SMILES for ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC=NS1.CC1CCCS1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1ncco1.

What is the InChIKey of ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene?

The InChIKey is GVJZKUZPSQECMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6O.C5H6S.C5H10S.C5H6S.4C4H5NO.3C4H5NS.C4H7NS.31C2H6/c1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4;31*1-2/h3*2-4H,1H3;5H,2-4H2,1H3;2-4H,1H3;7*2-3H,1H3;3-4H,2H2,1H3;31*1-2H3.

What are the key properties of ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene?

ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene has a molecular weight of 2125.92 g/mol, XLogP of 50.79, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-methyl-4,5-dihydro-1,2-thiazole;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiolane;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158377638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).