ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole

C49H112N12S6 — CID 158880535

About ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole

ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 158880535) has the molecular formula C49H112N12S6 and a molecular weight of 1061.92 g/mol. Its IUPAC name is ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

• Compound Name: ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole
• PubChem CID: 158880535
• Molecular Formula: C49H112N12S6
• Molecular Weight: 1061.92 g/mol
• Exact Mass: 1060.75
• IUPAC Name: ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole
• SMILES: C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1cnns1.CC(C)c1cnsn1.CC(C)c1csnn1.CC(C)c1ncns1.CC(C)c1ncsn1.CC(C)c1nncs1
• InChI: InChI=1S/6C5H8N2S.6C2H6.7CH4/c1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-3-8-7-6-5;1-4(2)5-3-6-7-8-5;1-4(2)5-3-6-8-7-5;6*1-2;;;;;;;/h6*3-4H,1-2H3;6*1-2H3;7*1H4
• InChIKey: JCYZOLQACHBAMU-UHFFFAOYSA-N
• XLogP: 20.58
• TPSA: 154.68 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.92
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole?

The IUPAC name of ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole (CID 158880535) is ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole.

What is the SMILES notation for ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole?

The canonical SMILES for ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole is C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC(C)c1cnns1.CC(C)c1cnsn1.CC(C)c1csnn1.CC(C)c1ncns1.CC(C)c1ncsn1.CC(C)c1nncs1.

What is the InChIKey of ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole?

The InChIKey is JCYZOLQACHBAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H8N2S.6C2H6.7CH4/c1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;1-4(2)5-3-8-7-6-5;1-4(2)5-3-6-7-8-5;1-4(2)5-3-6-8-7-5;6*1-2;;;;;;;/h6*3-4H,1-2H3;6*1-2H3;7*1H4.

What are the key properties of ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole?

ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 1061.92 g/mol, XLogP of 20.58, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;2-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1,2,4-thiadiazole;3-propan-2-yl-1,2,5-thiadiazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiadiazole;5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 158880535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).