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

C7H9NO3S — CID 63312395

IUPACmethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCOC(=O)CCn1ccsc1=O
InChIInChI=1S/C7H9NO3S/c1-11-6(9)2-3-8-4-5-12-7(8)10/h4-5H,2-3H2,1H3
InChIKeyWEZDEKSIIZLUCP-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.47
Rot. Bonds3

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

methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 63312395) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID63312395
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namemethyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCOC(=O)CCn1ccsc1=O
InChIInChI=1S/C7H9NO3S/c1-11-6(9)2-3-8-4-5-12-7(8)10/h4-5H,2-3H2,1H3
InChIKeyWEZDEKSIIZLUCP-UHFFFAOYSA-N
XLogP0.47
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate (CID 63312395) is methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate is COC(=O)CCn1ccsc1=O.
What is the InChIKey of methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is WEZDEKSIIZLUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-11-6(9)2-3-8-4-5-12-7(8)10/h4-5H,2-3H2,1H3.
What are the key properties of methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate?
methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 187.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 63312395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).