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

C10H17NO4S — CID 116622670

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
SMILESCOCCOCCOCCn1ccsc1=O
InChIInChI=1S/C10H17NO4S/c1-13-5-6-15-8-7-14-4-2-11-3-9-16-10(11)12/h3,9H,2,4-8H2,1H3
InChIKeyUCXWJDZBHDFBBK-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.59
Rot. Bonds9

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

3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one (PubChem CID 116622670) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
PubChem CID116622670
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
SMILESCOCCOCCOCCn1ccsc1=O
InChIInChI=1S/C10H17NO4S/c1-13-5-6-15-8-7-14-4-2-11-3-9-16-10(11)12/h3,9H,2,4-8H2,1H3
InChIKeyUCXWJDZBHDFBBK-UHFFFAOYSA-N
XLogP0.59
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-Methoxypropoxy)ethyl]-1,3-thiazol-2-one
CID 103184191
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
3-[2-(2-Methoxyethoxy)ethyl]-1,3-thiazol-2-one
CID 115749766
3-(2-Ethoxyethyl)-1,3-thiazol-2-one
CID 115749770
3-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
CID 116622686

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one (CID 116622670) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one is COCCOCCOCCn1ccsc1=O.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one?
The InChIKey is UCXWJDZBHDFBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-13-5-6-15-8-7-14-4-2-11-3-9-16-10(11)12/h3,9H,2,4-8H2,1H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one has a molecular weight of 247.32 g/mol, XLogP of 0.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 116622670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).