ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

C116H228N28O6S10 — CID 159118861

IUPACethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccns1.CC(C)c1cncs1.CC(C)c1cnno1.CC(C)c1cnns1.CC(C)c1cnon1.CC(C)c1cnsn1.CC(C)c1conn1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1ncon1.CC(C)c1ncsn1.CC(C)c1nnco1.CC(C)c1nncs1
InChIInChI=1S/4C6H9NS.6C5H8N2O.6C5H8N2S.16C2H6/c1-5(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;1-5(2)6-3-4-7-8-6;1-4(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;1-4(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;16*1-2/h4*3-5H,1-2H3;12*3-4H,1-2H3;16*1-2H3
InChIKeyKFKVKPPEMPDTKH-UHFFFAOYSA-N
MW2431.96 g/mol
LogP42.61
Rot. Bonds16

About ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 159118861) has the molecular formula C116H228N28O6S10 and a molecular weight of 2431.96 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID159118861
Molecular FormulaC116H228N28O6S10
Molecular Weight2431.96 g/mol
Exact Mass2429.56
IUPAC Nameethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccns1.CC(C)c1cncs1.CC(C)c1cnno1.CC(C)c1cnns1.CC(C)c1cnon1.CC(C)c1cnsn1.CC(C)c1conn1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1ncon1.CC(C)c1ncsn1.CC(C)c1nnco1.CC(C)c1nncs1
InChIInChI=1S/4C6H9NS.6C5H8N2O.6C5H8N2S.16C2H6/c1-5(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;1-5(2)6-3-4-7-8-6;1-4(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;1-4(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;16*1-2/h4*3-5H,1-2H3;12*3-4H,1-2H3;16*1-2H3
InChIKeyKFKVKPPEMPDTKH-UHFFFAOYSA-N
XLogP42.61
TPSA439.76 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.96
LogP ≤ 542.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 157870452
2-Propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 159561928
2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;4-methyl-5-propan-2-yloxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-propan-2-yloxadiazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-2H-triazole
CID 160236975
tris(2-methyl-5-propan-2-yl-4H-imidazole);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;tris(5-methyl-2-propan-2-yl-3H-pyrrole);2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;2-methyl-4-propan-2-yltriazole;tris(5-propan-2-yl-4H-imidazole);bis(3-propan-2-yl-1,2-oxazole);bis(3-propan-2-yl-4H-pyrazole);tris(2-propan-2-yl-3H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(3-propan-2-yl-1,2-thiazole);4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
CID 161481472

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (CID 159118861) is ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccns1.CC(C)c1cncs1.CC(C)c1cnno1.CC(C)c1cnns1.CC(C)c1cnon1.CC(C)c1cnsn1.CC(C)c1conn1.CC(C)c1cscn1.CC(C)c1csnn1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1ncns1.CC(C)c1ncon1.CC(C)c1ncsn1.CC(C)c1nnco1.CC(C)c1nncs1.
What is the InChIKey of ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is KFKVKPPEMPDTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H9NS.6C5H8N2O.6C5H8N2S.16C2H6/c1-5(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;1-5(2)6-3-4-7-8-6;1-4(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;1-4(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;16*1-2/h4*3-5H,1-2H3;12*3-4H,1-2H3;16*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 2431.96 g/mol, XLogP of 42.61, 16 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;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;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159118861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).