3-(2-butoxyethyl)-1,3-thiazol-2-one

C9H15NO2S — CID 115659229

IUPAC3-(2-butoxyethyl)-1,3-thiazol-2-one
SMILESCCCCOCCn1ccsc1=O
InChIInChI=1S/C9H15NO2S/c1-2-3-6-12-7-4-10-5-8-13-9(10)11/h5,8H,2-4,6-7H2,1H3
InChIKeyJSHPKYAXISTZCL-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.73
Rot. Bonds6

About 3-(2-butoxyethyl)-1,3-thiazol-2-one

3-(2-butoxyethyl)-1,3-thiazol-2-one (PubChem CID 115659229) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-butoxyethyl)-1,3-thiazol-2-one
PubChem CID115659229
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3-(2-butoxyethyl)-1,3-thiazol-2-one
SMILESCCCCOCCn1ccsc1=O
InChIInChI=1S/C9H15NO2S/c1-2-3-6-12-7-4-10-5-8-13-9(10)11/h5,8H,2-4,6-7H2,1H3
InChIKeyJSHPKYAXISTZCL-UHFFFAOYSA-N
XLogP1.73
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Butyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312789
3-(2,2-Diethoxyethyl)-1,3-thiazol-2-one
CID 63630266
3-[2-(2-Sulfanylethoxy)ethyl]-1,3-thiazol-2-one
CID 80031214
3-[2-(3-Methoxypropoxy)ethyl]-1,3-thiazol-2-one
CID 103184191
3-(2-Methoxypropyl)-1,3-thiazol-2-one
CID 104096624
3-[2-(2-Methylpropoxy)ethyl]-1,3-thiazol-2-one
CID 106458070
3-(2-Propoxyethyl)-1,3-thiazol-2-one
CID 106458071
3-(2-Methoxyethyl)-1,3-thiazol-2-one
CID 115646842
3-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-1,3-thiazol-2-one
CID 115647611
3-(2-Propan-2-yloxyethyl)-1,3-thiazol-2-one
CID 115659241
3-(3-Ethoxypropyl)-1,3-thiazol-2-one
CID 115659292
3-[2-(3-Methylbutoxy)ethyl]-1,3-thiazol-2-one
CID 115749762

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-butoxyethyl)-1,3-thiazol-2-one (CID 115659229) is 3-(2-butoxyethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-butoxyethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-butoxyethyl)-1,3-thiazol-2-one is CCCCOCCn1ccsc1=O.
What is the InChIKey of 3-(2-butoxyethyl)-1,3-thiazol-2-one?
The InChIKey is JSHPKYAXISTZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-2-3-6-12-7-4-10-5-8-13-9(10)11/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 3-(2-butoxyethyl)-1,3-thiazol-2-one?
3-(2-butoxyethyl)-1,3-thiazol-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115659229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).