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

C9H13NO2S — CID 60675946

IUPACethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C)c(C)s1
InChIInChI=1S/C9H13NO2S/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3
InChIKeyXUWPJYUWXVDIRE-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.87
Rot. Bonds3

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

ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate (PubChem CID 60675946) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
PubChem CID60675946
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C)c(C)s1
InChIInChI=1S/C9H13NO2S/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3
InChIKeyXUWPJYUWXVDIRE-UHFFFAOYSA-N
XLogP1.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate (CID 60675946) is ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate is CCOC(=O)Cc1nc(C)c(C)s1.
What is the InChIKey of ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
The InChIKey is XUWPJYUWXVDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3.
What are the key properties of ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate?
ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate has a molecular weight of 199.27 g/mol, XLogP of 1.87, 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-dimethyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 60675946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).