2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate

C8H11NO2S — CID 89428725

IUPAC2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate
SMILESCC(=O)OCCc1cnc(C)s1
InChIInChI=1S/C8H11NO2S/c1-6-9-5-8(12-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3
InChIKeyNJXQSLHCIMPAHH-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.56
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate

2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate (PubChem CID 89428725) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate
PubChem CID89428725
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate
SMILESCC(=O)OCCc1cnc(C)s1
InChIInChI=1S/C8H11NO2S/c1-6-9-5-8(12-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3
InChIKeyNJXQSLHCIMPAHH-UHFFFAOYSA-N
XLogP1.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate (CID 89428725) is 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate is CC(=O)OCCc1cnc(C)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate?
The InChIKey is NJXQSLHCIMPAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-9-5-8(12-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate?
2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate has a molecular weight of 185.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)ethyl acetate is sourced from PubChem (CID 89428725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).