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

C7H9NO2S — CID 154141241

IUPAC(2-ethyl-1,3-thiazol-4-yl) acetate
SMILESCCc1nc(OC(C)=O)cs1
InChIInChI=1S/C7H9NO2S/c1-3-7-8-6(4-11-7)10-5(2)9/h4H,3H2,1-2H3
InChIKeyUXZRRPJGXHULMQ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.63
Rot. Bonds2

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

(2-ethyl-1,3-thiazol-4-yl) acetate (PubChem CID 154141241) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl) acetate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl) acetate
PubChem CID154141241
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(2-ethyl-1,3-thiazol-4-yl) acetate
SMILESCCc1nc(OC(C)=O)cs1
InChIInChI=1S/C7H9NO2S/c1-3-7-8-6(4-11-7)10-5(2)9/h4H,3H2,1-2H3
InChIKeyUXZRRPJGXHULMQ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethyl-1,3-thiazol-4-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

Related Compounds

Methoxy-ethyl-thiazole
CID 68251462
(2-Propan-2-yl-1,3-thiazol-4-yl) 2,2,2-trifluoroacetate
CID 151374872
(2-Methyl-1,3-thiazol-4-yl) 2,2,2-trifluoroacetate
CID 153863956
2-Methyl-1,3-thiazol-4-yl but-3-enoate
CID 45091329
(2-Methyl-1,3-thiazol-4-yl) butanoate
CID 20190991
(2-Chloro-1,3-thiazol-4-yl) butanoate
CID 20191004
(2-Methyl-1,3-thiazol-4-yl) propanoate
CID 42552675
(2-Methyl-1,3-thiazol-4-yl) acetate
CID 57319426
[2-(4-Methoxy-2-methylbutan-2-yl)-1,3-thiazol-4-yl] propanoate
CID 57959948
[2-(3-Hydroxypropyl)-1,3-thiazol-4-yl] propanoate
CID 57960049
[2-(1-Hydroxy-2-methylpropan-2-yl)-1,3-thiazol-4-yl] propanoate
CID 57960096
[2-(4-Methoxybutan-2-yl)-1,3-thiazol-4-yl] propanoate
CID 57960306

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl) acetate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl) acetate (CID 154141241) is (2-ethyl-1,3-thiazol-4-yl) acetate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl) acetate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl) acetate is CCc1nc(OC(C)=O)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl) acetate?
The InChIKey is UXZRRPJGXHULMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-7-8-6(4-11-7)10-5(2)9/h4H,3H2,1-2H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl) acetate?
(2-ethyl-1,3-thiazol-4-yl) acetate has a molecular weight of 171.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl) acetate is sourced from PubChem (CID 154141241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).