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

C7H11NO2S — CID 174286434

IUPAC2-(2H-1,3-thiazol-3-yl)ethyl acetate
SMILESCC(=O)OCCN1C=CSC1
InChIInChI=1S/C7H11NO2S/c1-7(9)10-4-2-8-3-5-11-6-8/h3,5H,2,4,6H2,1H3
InChIKeyYEGYMBUHWSSITC-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.03
Rot. Bonds3

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

2-(2H-1,3-thiazol-3-yl)ethyl acetate (PubChem CID 174286434) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)ethyl acetate
PubChem CID174286434
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-(2H-1,3-thiazol-3-yl)ethyl acetate
SMILESCC(=O)OCCN1C=CSC1
InChIInChI=1S/C7H11NO2S/c1-7(9)10-4-2-8-3-5-11-6-8/h3,5H,2,4,6H2,1H3
InChIKeyYEGYMBUHWSSITC-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Delta4-Thiazolin-3-yl-essigsaureathylester
CID 129630105
Ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 81296787
methyl 2-(2H-1,3-thiazol-3-yl)acetate
CID 21760629
2-(4-Hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl acetate
CID 57234222
3-(2-ethoxyethyl)-2H-1,3-thiazole
CID 59866161
ethyl 2-(2H-1,3-thiazol-3-yl)propanoate
CID 140108167
Ethyl 2-(2,3-dihydro-1,3-thiazol-3-ium-3-yl)acetate bromide
CID 151106593
Ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate
CID 151917928
methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide
CID 173084083
2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride
CID 174286433
2-(2H-1,3-thiazol-3-yl)ethyl formate
CID 174548075
Ethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 63312394

Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethyl acetate?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethyl acetate (CID 174286434) is 2-(2H-1,3-thiazol-3-yl)ethyl acetate.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)ethyl acetate?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)ethyl acetate is CC(=O)OCCN1C=CSC1.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)ethyl acetate?
The InChIKey is YEGYMBUHWSSITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-7(9)10-4-2-8-3-5-11-6-8/h3,5H,2,4,6H2,1H3.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)ethyl acetate?
2-(2H-1,3-thiazol-3-yl)ethyl acetate has a molecular weight of 173.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yl)ethyl acetate is sourced from PubChem (CID 174286434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).