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

C8H11NO3S — CID 63312788

IUPACpropan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate
SMILESCC(C)OC(=O)Cn1ccsc1=O
InChIInChI=1S/C8H11NO3S/c1-6(2)12-7(10)5-9-3-4-13-8(9)11/h3-4,6H,5H2,1-2H3
InChIKeyKZLGMJCCMMLQAV-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.86
Rot. Bonds3

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

propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 63312788) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID63312788
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Namepropan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate
SMILESCC(C)OC(=O)Cn1ccsc1=O
InChIInChI=1S/C8H11NO3S/c1-6(2)12-7(10)5-9-3-4-13-8(9)11/h3-4,6H,5H2,1-2H3
InChIKeyKZLGMJCCMMLQAV-UHFFFAOYSA-N
XLogP0.86
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate (CID 63312788) is propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate is CC(C)OC(=O)Cn1ccsc1=O.
What is the InChIKey of propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is KZLGMJCCMMLQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6(2)12-7(10)5-9-3-4-13-8(9)11/h3-4,6H,5H2,1-2H3.
What are the key properties of propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate?
propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 201.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 63312788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).