3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one

C9H15NO3S — CID 63310460

IUPAC3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCOCCO)c1C
InChIInChI=1S/C9H15NO3S/c1-7-8(2)14-9(12)10(7)3-5-13-6-4-11/h11H,3-6H2,1-2H3
InChIKeySZPLPTZHSUHBRS-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.54
Rot. Bonds5

About 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63310460) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63310460
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCOCCO)c1C
InChIInChI=1S/C9H15NO3S/c1-7-8(2)14-9(12)10(7)3-5-13-6-4-11/h11H,3-6H2,1-2H3
InChIKeySZPLPTZHSUHBRS-UHFFFAOYSA-N
XLogP0.54
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63310460) is 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCOCCO)c1C.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is SZPLPTZHSUHBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-7-8(2)14-9(12)10(7)3-5-13-6-4-11/h11H,3-6H2,1-2H3.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 217.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63310460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).