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

C9H15NO3S — CID 103184191

IUPAC3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one
SMILESCOCCCOCCn1ccsc1=O
InChIInChI=1S/C9H15NO3S/c1-12-5-2-6-13-7-3-10-4-8-14-9(10)11/h4,8H,2-3,5-7H2,1H3
InChIKeyUDRRWHNMUXFFOY-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.96
Rot. Bonds7

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

3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one (PubChem CID 103184191) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one
PubChem CID103184191
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one
SMILESCOCCCOCCn1ccsc1=O
InChIInChI=1S/C9H15NO3S/c1-12-5-2-6-13-7-3-10-4-8-14-9(10)11/h4,8H,2-3,5-7H2,1H3
InChIKeyUDRRWHNMUXFFOY-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

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-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-Butoxyethyl)-1,3-thiazol-2-one
CID 115659229
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-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one (CID 103184191) is 3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one is COCCCOCCn1ccsc1=O.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one?
The InChIKey is UDRRWHNMUXFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-12-5-2-6-13-7-3-10-4-8-14-9(10)11/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one?
3-[2-(3-methoxypropoxy)ethyl]-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-[2-(3-methoxypropoxy)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 103184191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).