methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate

C6H7NO3S — CID 63312396

IUPACmethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)Cn1ccsc1=O
InChIInChI=1S/C6H7NO3S/c1-10-5(8)4-7-2-3-11-6(7)9/h2-3H,4H2,1H3
InChIKeyXMZNHUZMJIEMTK-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.08
Rot. Bonds2

About methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate

methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 63312396) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID63312396
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Namemethyl 2-(2-oxo-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)Cn1ccsc1=O
InChIInChI=1S/C6H7NO3S/c1-10-5(8)4-7-2-3-11-6(7)9/h2-3H,4H2,1H3
InChIKeyXMZNHUZMJIEMTK-UHFFFAOYSA-N
XLogP0.08
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate (CID 63312396) is methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate is COC(=O)Cn1ccsc1=O.
What is the InChIKey of methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is XMZNHUZMJIEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-10-5(8)4-7-2-3-11-6(7)9/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 173.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 63312396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).