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

C8H13NO3S — CID 61070159

IUPAC3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCOCCO
InChIInChI=1S/C8H13NO3S/c1-7-6-13-8(11)9(7)2-4-12-5-3-10/h6,10H,2-5H2,1H3
InChIKeySUXWLZMMDUJAQW-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.23
Rot. Bonds5

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

3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 61070159) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID61070159
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCOCCO
InChIInChI=1S/C8H13NO3S/c1-7-6-13-8(11)9(7)2-4-12-5-3-10/h6,10H,2-5H2,1H3
InChIKeySUXWLZMMDUJAQW-UHFFFAOYSA-N
XLogP0.23
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.23
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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Related Compounds

3-(2-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 43509711
3-[2-(2-Hydroxyethoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310460
4-Methyl-3-[2-(2-sulfanylethoxy)ethyl]-1,3-thiazol-2-one
CID 80021888
3-[2-[2-Hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111103149
3-(2-Hydroxy-3-propan-2-yloxypropyl)-4-methyl-1,3-thiazol-2-one
CID 111118258
N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 114243353

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one (CID 61070159) is 3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is SUXWLZMMDUJAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-7-6-13-8(11)9(7)2-4-12-5-3-10/h6,10H,2-5H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 203.26 g/mol, XLogP of 0.23, 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-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 61070159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).