(2-methyl-1,3-thiazol-4-yl)methyl acetate

C7H9NO2S — CID 45117619

IUPAC(2-methyl-1,3-thiazol-4-yl)methyl acetate
SMILESCC(=O)OCc1csc(C)n1
InChIInChI=1S/C7H9NO2S/c1-5-8-7(4-11-5)3-10-6(2)9/h4H,3H2,1-2H3
InChIKeyUIINCRGWJODXTC-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.51
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)methyl acetate

(2-methyl-1,3-thiazol-4-yl)methyl acetate (PubChem CID 45117619) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methyl acetate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methyl acetate
PubChem CID45117619
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methyl acetate
SMILESCC(=O)OCc1csc(C)n1
InChIInChI=1S/C7H9NO2S/c1-5-8-7(4-11-5)3-10-6(2)9/h4H,3H2,1-2H3
InChIKeyUIINCRGWJODXTC-UHFFFAOYSA-N
XLogP1.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1,3-thiazol-4-yl)methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl acetate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl acetate (CID 45117619) is (2-methyl-1,3-thiazol-4-yl)methyl acetate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methyl acetate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methyl acetate is CC(=O)OCc1csc(C)n1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methyl acetate?
The InChIKey is UIINCRGWJODXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-8-7(4-11-5)3-10-6(2)9/h4H,3H2,1-2H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methyl acetate?
(2-methyl-1,3-thiazol-4-yl)methyl acetate has a molecular weight of 171.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methyl acetate is sourced from PubChem (CID 45117619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).