(2,4-dimethyl-1,3-thiazol-5-yl) acetate

C7H9NO2S — CID 19794043

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl) acetate
SMILESCC(=O)Oc1sc(C)nc1C
InChIInChI=1S/C7H9NO2S/c1-4-7(10-6(3)9)11-5(2)8-4/h1-3H3
InChIKeyPWKAHGVFGASSCK-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.69
Rot. Bonds1

About (2,4-dimethyl-1,3-thiazol-5-yl) acetate

(2,4-dimethyl-1,3-thiazol-5-yl) acetate (PubChem CID 19794043) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl) acetate.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl) acetate
PubChem CID19794043
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl) acetate
SMILESCC(=O)Oc1sc(C)nc1C
InChIInChI=1S/C7H9NO2S/c1-4-7(10-6(3)9)11-5(2)8-4/h1-3H3
InChIKeyPWKAHGVFGASSCK-UHFFFAOYSA-N
XLogP1.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl) acetate?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl) acetate (CID 19794043) is (2,4-dimethyl-1,3-thiazol-5-yl) acetate.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl) acetate?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl) acetate is CC(=O)Oc1sc(C)nc1C.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl) acetate?
The InChIKey is PWKAHGVFGASSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4-7(10-6(3)9)11-5(2)8-4/h1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl) acetate?
(2,4-dimethyl-1,3-thiazol-5-yl) acetate has a molecular weight of 171.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl) acetate is sourced from PubChem (CID 19794043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).