2,4-diethyl-1,3-thiazole 1-oxide

C7H11NOS — CID 141184571

IUPAC2,4-diethyl-1,3-thiazole 1-oxide
SMILESCCC1=CS(=O)C(CC)=N1
InChIInChI=1S/C7H11NOS/c1-3-6-5-10(9)7(4-2)8-6/h5H,3-4H2,1-2H3
InChIKeyWTOUYJXPUNLWSZ-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.81
Rot. Bonds2

About 2,4-diethyl-1,3-thiazole 1-oxide

2,4-diethyl-1,3-thiazole 1-oxide (PubChem CID 141184571) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2,4-diethyl-1,3-thiazole 1-oxide.

Molecular Properties

Compound Name2,4-diethyl-1,3-thiazole 1-oxide
PubChem CID141184571
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2,4-diethyl-1,3-thiazole 1-oxide
SMILESCCC1=CS(=O)C(CC)=N1
InChIInChI=1S/C7H11NOS/c1-3-6-5-10(9)7(4-2)8-6/h5H,3-4H2,1-2H3
InChIKeyWTOUYJXPUNLWSZ-UHFFFAOYSA-N
XLogP1.81
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1,3-thiazole 1-oxide?
The IUPAC name of 2,4-diethyl-1,3-thiazole 1-oxide (CID 141184571) is 2,4-diethyl-1,3-thiazole 1-oxide.
What is the SMILES notation for 2,4-diethyl-1,3-thiazole 1-oxide?
The canonical SMILES for 2,4-diethyl-1,3-thiazole 1-oxide is CCC1=CS(=O)C(CC)=N1.
What is the InChIKey of 2,4-diethyl-1,3-thiazole 1-oxide?
The InChIKey is WTOUYJXPUNLWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-3-6-5-10(9)7(4-2)8-6/h5H,3-4H2,1-2H3.
What are the key properties of 2,4-diethyl-1,3-thiazole 1-oxide?
2,4-diethyl-1,3-thiazole 1-oxide has a molecular weight of 157.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1,3-thiazole 1-oxide is sourced from PubChem (CID 141184571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).