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

C9H15NO3S — CID 103413341

IUPAC3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one
SMILESCOCCOCCCn1ccsc1=O
InChIInChI=1S/C9H15NO3S/c1-12-6-7-13-5-2-3-10-4-8-14-9(10)11/h4,8H,2-3,5-7H2,1H3
InChIKeyGJRZQSDIOIBHRC-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.96
Rot. Bonds7

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

3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one (PubChem CID 103413341) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one
PubChem CID103413341
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one
SMILESCOCCOCCCn1ccsc1=O
InChIInChI=1S/C9H15NO3S/c1-12-6-7-13-5-2-3-10-4-8-14-9(10)11/h4,8H,2-3,5-7H2,1H3
InChIKeyGJRZQSDIOIBHRC-UHFFFAOYSA-N
XLogP0.96
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.96
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-[3-(2,2,2-Trifluoroethoxy)propyl]-1,3-thiazol-2-one
CID 115659265
Ethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate
CID 12839817
3-(2-Propoxyethyl)-1,3-thiazol-2-one
CID 106458071
3-(3-Ethoxypropyl)-1,3-thiazol-2-one
CID 115659292
3-(3-Methoxypropyl)-1,3-thiazol-2-one
CID 115736833
3-[2-(2-Methoxyethoxy)ethyl]-1,3-thiazol-2-one
CID 115749766
3-(4-Methoxybutyl)-1,3-thiazol-2-one
CID 115749775
3-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-1,3-thiazol-2-one
CID 116622686
3-[(3-Methyloxetan-3-yl)methyl]-1,3-thiazol-2-one
CID 130694409

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one (CID 103413341) is 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one is COCCOCCCn1ccsc1=O.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one?
The InChIKey is GJRZQSDIOIBHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-12-6-7-13-5-2-3-10-4-8-14-9(10)11/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one?
3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one has a molecular weight of 217.29 g/mol, XLogP of 0.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 103413341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).