ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

C48H92N8OS3 — CID 158242661

IUPACethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/2C6H10N2.C6H9NO.3C6H9NS.6C2H6/c2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;6*1-2/h2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;6*1-2H3
InChIKeyGFSSTYMMCPQPSO-UHFFFAOYSA-N
MW893.52 g/mol
LogP17.82
Rot. Bonds6

About ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole

ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158242661) has the molecular formula C48H92N8OS3 and a molecular weight of 893.52 g/mol. Its IUPAC name is ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID158242661
Molecular FormulaC48H92N8OS3
Molecular Weight893.52 g/mol
Exact Mass892.66
IUPAC Nameethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/2C6H10N2.C6H9NO.3C6H9NS.6C2H6/c2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;6*1-2/h2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;6*1-2H3
InChIKeyGFSSTYMMCPQPSO-UHFFFAOYSA-N
XLogP17.82
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.52
LogP ≤ 517.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole (CID 158242661) is ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is GFSSTYMMCPQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.C6H9NO.3C6H9NS.6C2H6/c2*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;6*1-2/h2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;6*1-2H3.
What are the key properties of ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole?
ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 893.52 g/mol, XLogP of 17.82, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158242661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).