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

C9H13NO3S — CID 68643534

IUPACethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(OC)c1nc(C)cs1
InChIInChI=1S/C9H13NO3S/c1-4-13-9(11)7(12-3)8-10-6(2)5-14-8/h5,7H,4H2,1-3H3
InChIKeyCOCADRPTKJIXMN-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.70
Rot. Bonds4

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

ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate (PubChem CID 68643534) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate
PubChem CID68643534
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Nameethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)C(OC)c1nc(C)cs1
InChIInChI=1S/C9H13NO3S/c1-4-13-9(11)7(12-3)8-10-6(2)5-14-8/h5,7H,4H2,1-3H3
InChIKeyCOCADRPTKJIXMN-UHFFFAOYSA-N
XLogP1.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate (CID 68643534) is ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate is CCOC(=O)C(OC)c1nc(C)cs1.
What is the InChIKey of ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The InChIKey is COCADRPTKJIXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-4-13-9(11)7(12-3)8-10-6(2)5-14-8/h5,7H,4H2,1-3H3.
What are the key properties of ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate?
ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate has a molecular weight of 215.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-2-(4-methyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 68643534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).