methyl 2-(1,3-thiazol-2-ylmethoxy)acetate

C7H9NO3S — CID 66783731

IUPACmethyl 2-(1,3-thiazol-2-ylmethoxy)acetate
SMILESCOC(=O)COCc1nccs1
InChIInChI=1S/C7H9NO3S/c1-10-7(9)5-11-4-6-8-2-3-12-6/h2-3H,4-5H2,1H3
InChIKeyNHMVWEZDLLPZCN-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.83
Rot. Bonds4

About methyl 2-(1,3-thiazol-2-ylmethoxy)acetate

methyl 2-(1,3-thiazol-2-ylmethoxy)acetate (PubChem CID 66783731) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-ylmethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-ylmethoxy)acetate
PubChem CID66783731
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namemethyl 2-(1,3-thiazol-2-ylmethoxy)acetate
SMILESCOC(=O)COCc1nccs1
InChIInChI=1S/C7H9NO3S/c1-10-7(9)5-11-4-6-8-2-3-12-6/h2-3H,4-5H2,1H3
InChIKeyNHMVWEZDLLPZCN-UHFFFAOYSA-N
XLogP0.83
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-2-ylmethoxy)acetate?
The IUPAC name of methyl 2-(1,3-thiazol-2-ylmethoxy)acetate (CID 66783731) is methyl 2-(1,3-thiazol-2-ylmethoxy)acetate.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-ylmethoxy)acetate?
The canonical SMILES for methyl 2-(1,3-thiazol-2-ylmethoxy)acetate is COC(=O)COCc1nccs1.
What is the InChIKey of methyl 2-(1,3-thiazol-2-ylmethoxy)acetate?
The InChIKey is NHMVWEZDLLPZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-10-7(9)5-11-4-6-8-2-3-12-6/h2-3H,4-5H2,1H3.
What are the key properties of methyl 2-(1,3-thiazol-2-ylmethoxy)acetate?
methyl 2-(1,3-thiazol-2-ylmethoxy)acetate has a molecular weight of 187.22 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-2-ylmethoxy)acetate is sourced from PubChem (CID 66783731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).