ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate

C7H11NO2S — CID 143766962

IUPACethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)CC1CSC=N1
InChIInChI=1S/C7H11NO2S/c1-2-10-7(9)3-6-4-11-5-8-6/h5-6H,2-4H2,1H3
InChIKeyHTEMWWZTZAQKCQ-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.08
Rot. Bonds3

About ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate

ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate (PubChem CID 143766962) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate
PubChem CID143766962
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Nameethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)CC1CSC=N1
InChIInChI=1S/C7H11NO2S/c1-2-10-7(9)3-6-4-11-5-8-6/h5-6H,2-4H2,1H3
InChIKeyHTEMWWZTZAQKCQ-UHFFFAOYSA-N
XLogP1.08
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]acetate
CID 155807106
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ethyl 2,3-dihydrothiophene-3-carboxylate
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ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
ethyl 2-(5-oxo-2H-thiophen-2-yl)acetate
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ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
CID 142858337
ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate
CID 142858342
ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate
CID 66591598
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate
CID 139777843
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate (CID 143766962) is ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate is CCOC(=O)CC1CSC=N1.
What is the InChIKey of ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate?
The InChIKey is HTEMWWZTZAQKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-10-7(9)3-6-4-11-5-8-6/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate?
ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate has a molecular weight of 173.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 143766962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).