(2-phenyl-3H-1,3-thiazol-2-yl) acetate

C11H11NO2S — CID 67839772

IUPAC(2-phenyl-3H-1,3-thiazol-2-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)NC=CS1
InChIInChI=1S/C11H11NO2S/c1-9(13)14-11(12-7-8-15-11)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKeyWKABSACMENHTEP-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.17
Rot. Bonds2

About (2-phenyl-3H-1,3-thiazol-2-yl) acetate

(2-phenyl-3H-1,3-thiazol-2-yl) acetate (PubChem CID 67839772) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is (2-phenyl-3H-1,3-thiazol-2-yl) acetate.

Molecular Properties

Compound Name(2-phenyl-3H-1,3-thiazol-2-yl) acetate
PubChem CID67839772
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name(2-phenyl-3H-1,3-thiazol-2-yl) acetate
SMILESCC(=O)OC1(c2ccccc2)NC=CS1
InChIInChI=1S/C11H11NO2S/c1-9(13)14-11(12-7-8-15-11)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKeyWKABSACMENHTEP-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3H-1,3-thiazol-2-yl) acetate?
The IUPAC name of (2-phenyl-3H-1,3-thiazol-2-yl) acetate (CID 67839772) is (2-phenyl-3H-1,3-thiazol-2-yl) acetate.
What is the SMILES notation for (2-phenyl-3H-1,3-thiazol-2-yl) acetate?
The canonical SMILES for (2-phenyl-3H-1,3-thiazol-2-yl) acetate is CC(=O)OC1(c2ccccc2)NC=CS1.
What is the InChIKey of (2-phenyl-3H-1,3-thiazol-2-yl) acetate?
The InChIKey is WKABSACMENHTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-9(13)14-11(12-7-8-15-11)10-5-3-2-4-6-10/h2-8,12H,1H3.
What are the key properties of (2-phenyl-3H-1,3-thiazol-2-yl) acetate?
(2-phenyl-3H-1,3-thiazol-2-yl) acetate has a molecular weight of 221.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3H-1,3-thiazol-2-yl) acetate is sourced from PubChem (CID 67839772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).