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

C7H9NO2S — CID 28811858

IUPACmethyl 2-(2-methyl-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cnc(C)s1
InChIInChI=1S/C7H9NO2S/c1-5-8-4-6(11-5)3-7(9)10-2/h4H,3H2,1-2H3
InChIKeyHPCNGOKSYADONV-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.17
Rot. Bonds2

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

methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate (PubChem CID 28811858) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-1,3-thiazol-5-yl)acetate
PubChem CID28811858
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl 2-(2-methyl-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cnc(C)s1
InChIInChI=1S/C7H9NO2S/c1-5-8-4-6(11-5)3-7(9)10-2/h4H,3H2,1-2H3
InChIKeyHPCNGOKSYADONV-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-methyl-1,3-thiazol-5-yl)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 methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate (CID 28811858) is methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate is COC(=O)Cc1cnc(C)s1.
What is the InChIKey of methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate?
The InChIKey is HPCNGOKSYADONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-8-4-6(11-5)3-7(9)10-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate?
methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate has a molecular weight of 171.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 28811858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).