3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one

C8H13NO3S — CID 115749766

IUPAC3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one
SMILESCOCCOCCn1ccsc1=O
InChIInChI=1S/C8H13NO3S/c1-11-5-6-12-4-2-9-3-7-13-8(9)10/h3,7H,2,4-6H2,1H3
InChIKeySUKGXJVBOMBZPP-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.57
Rot. Bonds6

About 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one

3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one (PubChem CID 115749766) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one
PubChem CID115749766
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one
SMILESCOCCOCCn1ccsc1=O
InChIInChI=1S/C8H13NO3S/c1-11-5-6-12-4-2-9-3-7-13-8(9)10/h3,7H,2,4-6H2,1H3
InChIKeySUKGXJVBOMBZPP-UHFFFAOYSA-N
XLogP0.57
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-Hydroxyethoxy)ethyl]-1,3-thiazol-2-one
CID 63312410
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-[3-(2-Methoxyethoxy)propyl]-1,3-thiazol-2-one
CID 103413341
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-Butoxyethyl)-1,3-thiazol-2-one
CID 115659229
3-(2-Propan-2-yloxyethyl)-1,3-thiazol-2-one
CID 115659241
3-[2-(3-Methylbutoxy)ethyl]-1,3-thiazol-2-one
CID 115749762

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one (CID 115749766) is 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one is COCCOCCn1ccsc1=O.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one?
The InChIKey is SUKGXJVBOMBZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-11-5-6-12-4-2-9-3-7-13-8(9)10/h3,7H,2,4-6H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one?
3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one has a molecular weight of 203.26 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115749766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).