2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate

C8H11NO3S — CID 69467339

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1csc(C)n1
InChIInChI=1S/C8H11NO3S/c1-6-9-8(5-13-6)12-4-3-11-7(2)10/h5H,3-4H2,1-2H3
InChIKeyNZDRKFJWBRCTSE-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.39
Rot. Bonds4

About 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate

2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate (PubChem CID 69467339) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate
PubChem CID69467339
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1csc(C)n1
InChIInChI=1S/C8H11NO3S/c1-6-9-8(5-13-6)12-4-3-11-7(2)10/h5H,3-4H2,1-2H3
InChIKeyNZDRKFJWBRCTSE-UHFFFAOYSA-N
XLogP1.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate (CID 69467339) is 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate is CC(=O)OCCOc1csc(C)n1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate?
The InChIKey is NZDRKFJWBRCTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-9-8(5-13-6)12-4-3-11-7(2)10/h5H,3-4H2,1-2H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate?
2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate has a molecular weight of 201.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)oxy]ethyl acetate is sourced from PubChem (CID 69467339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).