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

C6H7NO2S — CID 28811855

IUPACmethyl 2-(1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cncs1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)2-5-3-7-4-10-5/h3-4H,2H2,1H3
InChIKeyJCXJQZZOBOFGTL-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.86
Rot. Bonds2

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

methyl 2-(1,3-thiazol-5-yl)acetate (PubChem CID 28811855) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-5-yl)acetate
PubChem CID28811855
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namemethyl 2-(1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cncs1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)2-5-3-7-4-10-5/h3-4H,2H2,1H3
InChIKeyJCXJQZZOBOFGTL-UHFFFAOYSA-N
XLogP0.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-(1,3-thiazol-5-yl)acetate (CID 28811855) is methyl 2-(1,3-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(1,3-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(1,3-thiazol-5-yl)acetate is COC(=O)Cc1cncs1.
What is the InChIKey of methyl 2-(1,3-thiazol-5-yl)acetate?
The InChIKey is JCXJQZZOBOFGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-9-6(8)2-5-3-7-4-10-5/h3-4H,2H2,1H3.
What are the key properties of methyl 2-(1,3-thiazol-5-yl)acetate?
methyl 2-(1,3-thiazol-5-yl)acetate has a molecular weight of 157.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 28811855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).