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

C8H9NO2S — CID 581951

IUPAC(5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate
SMILESC=Cc1sc(OC(C)=O)nc1C
InChIInChI=1S/C8H9NO2S/c1-4-7-5(2)9-8(12-7)11-6(3)10/h4H,1H2,2-3H3
InChIKeyZFGPBTHZTNLPAR-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.02
Rot. Bonds2

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

(5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate (PubChem CID 581951) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate.

Molecular Properties

Compound Name(5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate
PubChem CID581951
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name(5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate
SMILESC=Cc1sc(OC(C)=O)nc1C
InChIInChI=1S/C8H9NO2S/c1-4-7-5(2)9-8(12-7)11-6(3)10/h4H,1H2,2-3H3
InChIKeyZFGPBTHZTNLPAR-UHFFFAOYSA-N
XLogP2.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate?
The IUPAC name of (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate (CID 581951) is (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate.
What is the SMILES notation for (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate?
The canonical SMILES for (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate is C=Cc1sc(OC(C)=O)nc1C.
What is the InChIKey of (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate?
The InChIKey is ZFGPBTHZTNLPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-4-7-5(2)9-8(12-7)11-6(3)10/h4H,1H2,2-3H3.
What are the key properties of (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate?
(5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate has a molecular weight of 183.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-4-methyl-1,3-thiazol-2-yl) acetate is sourced from PubChem (CID 581951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).