ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)

C33H66N4O2S2 — CID 160612260

IUPACethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
SMILESC.C.C.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nccs1
InChIInChI=1S/2C6H9NO.2C6H9NS.3C2H6.3CH4/c1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;3*1-2;;;/h4*3-5H,1-2H3;3*1-2H3;3*1H4
InChIKeyRFQGWUAWVLMGCM-UHFFFAOYSA-N
MW615.05 g/mol
LogP13.12
Rot. Bonds4

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

ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) (PubChem CID 160612260) has the molecular formula C33H66N4O2S2 and a molecular weight of 615.05 g/mol. Its IUPAC name is ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole).

Molecular Properties

Compound Nameethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
PubChem CID160612260
Molecular FormulaC33H66N4O2S2
Molecular Weight615.05 g/mol
Exact Mass614.46
IUPAC Nameethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
SMILESC.C.C.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nccs1
InChIInChI=1S/2C6H9NO.2C6H9NS.3C2H6.3CH4/c1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;3*1-2;;;/h4*3-5H,1-2H3;3*1-2H3;3*1H4
InChIKeyRFQGWUAWVLMGCM-UHFFFAOYSA-N
XLogP13.12
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.05
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 158101927
Ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
CID 158441344
Bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
CID 158504821
2-Ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 158633352
ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 158683768
2-Methyl-1-(1,2-oxazol-5-yl)propan-1-one;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 159042422
5-Tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 159203613
4-Methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
CID 159876471
5-Tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 160010231
Ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 160613838
4-Iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole
CID 161136255
5-Ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 161215550

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)?
The IUPAC name of ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) (CID 160612260) is ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole).
What is the SMILES notation for ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)?
The canonical SMILES for ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) is C.C.C.CC.CC.CC.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nccs1.
What is the InChIKey of ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)?
The InChIKey is RFQGWUAWVLMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9NO.2C6H9NS.3C2H6.3CH4/c1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;3*1-2;;;/h4*3-5H,1-2H3;3*1-2H3;3*1H4.
What are the key properties of ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)?
ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) has a molecular weight of 615.05 g/mol, XLogP of 13.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 160612260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).