ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

C21H38N4OS2 — CID 160613838

IUPACethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nncs1
InChIInChI=1S/C6H9NO.C6H9NS.C5H8N2S.2C2H6/c1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;2*1-2/h2*3-5H,1-2H3;3-4H,1-2H3;2*1-2H3
InChIKeyRFVCWEFKHHMHMF-UHFFFAOYSA-N
MW426.70 g/mol
LogP7.78
Rot. Bonds3

About ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 160613838) has the molecular formula C21H38N4OS2 and a molecular weight of 426.70 g/mol. Its IUPAC name is ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
PubChem CID160613838
Molecular FormulaC21H38N4OS2
Molecular Weight426.70 g/mol
Exact Mass426.25
IUPAC Nameethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nncs1
InChIInChI=1S/C6H9NO.C6H9NS.C5H8N2S.2C2H6/c1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;2*1-2/h2*3-5H,1-2H3;3-4H,1-2H3;2*1-2H3
InChIKeyRFVCWEFKHHMHMF-UHFFFAOYSA-N
XLogP7.78
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.70
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
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
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
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
3-[1-(1,3-Thiazol-2-yl)ethyl]-1,2-oxazole
CID 174470496
3-Propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 177005552
Ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole
CID 177006502

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 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) is ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is CC.CC.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nncs1.
What is the InChIKey of ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is RFVCWEFKHHMHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C6H9NS.C5H8N2S.2C2H6/c1-5(2)6-3-4-8-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;2*1-2/h2*3-5H,1-2H3;3-4H,1-2H3;2*1-2H3.
What are the key properties of ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 426.70 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160613838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).