ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

C24H44N4OS3 — CID 158506844

IUPACethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
SMILESCC.CC.CC.CC.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnsc1
InChIInChI=1S/C4H5NO.3C4H5NS.4C2H6/c1-4-2-3-6-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2/h4*2-3H,1H3;4*1-2H3
InChIKeyHKOIDGIHWYNYPL-UHFFFAOYSA-N
MW500.84 g/mol
LogP9.44
Rot. Bonds

About ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 158506844) has the molecular formula C24H44N4OS3 and a molecular weight of 500.84 g/mol. Its IUPAC name is ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

Molecular Properties

Compound Nameethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
PubChem CID158506844
Molecular FormulaC24H44N4OS3
Molecular Weight500.84 g/mol
Exact Mass500.27
IUPAC Nameethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
SMILESCC.CC.CC.CC.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnsc1
InChIInChI=1S/C4H5NO.3C4H5NS.4C2H6/c1-4-2-3-6-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2/h4*2-3H,1H3;4*1-2H3
InChIKeyHKOIDGIHWYNYPL-UHFFFAOYSA-N
XLogP9.44
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.84
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The IUPAC name of ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 158506844) is ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.
What is the SMILES notation for ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The canonical SMILES for ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is CC.CC.CC.CC.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnsc1.
What is the InChIKey of ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The InChIKey is HKOIDGIHWYNYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.3C4H5NS.4C2H6/c1-4-2-3-6-5-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;4*1-2/h4*2-3H,1H3;4*1-2H3.
What are the key properties of ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 500.84 g/mol, XLogP of 9.44, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 158506844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).