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

C8H11NO2S — CID 62651520

IUPACethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1ncc(C)s1
InChIInChI=1S/C8H11NO2S/c1-3-11-8(10)4-7-9-5-6(2)12-7/h5H,3-4H2,1-2H3
InChIKeyHCTNVNBGBWGLIE-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.56
Rot. Bonds3

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

ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate (PubChem CID 62651520) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate
PubChem CID62651520
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Nameethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1ncc(C)s1
InChIInChI=1S/C8H11NO2S/c1-3-11-8(10)4-7-9-5-6(2)12-7/h5H,3-4H2,1-2H3
InChIKeyHCTNVNBGBWGLIE-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 ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate (CID 62651520) is ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate is CCOC(=O)Cc1ncc(C)s1.
What is the InChIKey of ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate?
The InChIKey is HCTNVNBGBWGLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-11-8(10)4-7-9-5-6(2)12-7/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate?
ethyl 2-(5-methyl-1,3-thiazol-2-yl)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 ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 62651520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).