methyl 2-(1,3-thiazol-2-yl)propanoate

C7H9NO2S — CID 13331888

IUPACmethyl 2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)c1nccs1
InChIInChI=1S/C7H9NO2S/c1-5(7(9)10-2)6-8-3-4-11-6/h3-5H,1-2H3
InChIKeyMLOXXMLFLNTMAL-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.42
Rot. Bonds2

About methyl 2-(1,3-thiazol-2-yl)propanoate

methyl 2-(1,3-thiazol-2-yl)propanoate (PubChem CID 13331888) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-yl)propanoate
PubChem CID13331888
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Namemethyl 2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)c1nccs1
InChIInChI=1S/C7H9NO2S/c1-5(7(9)10-2)6-8-3-4-11-6/h3-5H,1-2H3
InChIKeyMLOXXMLFLNTMAL-UHFFFAOYSA-N
XLogP1.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.42
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-2-yl)propanoate?
The IUPAC name of methyl 2-(1,3-thiazol-2-yl)propanoate (CID 13331888) is methyl 2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl 2-(1,3-thiazol-2-yl)propanoate is COC(=O)C(C)c1nccs1.
What is the InChIKey of methyl 2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is MLOXXMLFLNTMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5(7(9)10-2)6-8-3-4-11-6/h3-5H,1-2H3.
What are the key properties of methyl 2-(1,3-thiazol-2-yl)propanoate?
methyl 2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 171.22 g/mol, XLogP of 1.42, 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-2-yl)propanoate is sourced from PubChem (CID 13331888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).