ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate

C9H13NO2S — CID 151728674

IUPACethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate
SMILESCCOC(=O)C(C)c1cnc(C)s1
InChIInChI=1S/C9H13NO2S/c1-4-12-9(11)6(2)8-5-10-7(3)13-8/h5-6H,4H2,1-3H3
InChIKeyRKCOOQLDFMFGPF-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.12
Rot. Bonds3

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

ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate (PubChem CID 151728674) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate
PubChem CID151728674
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate
SMILESCCOC(=O)C(C)c1cnc(C)s1
InChIInChI=1S/C9H13NO2S/c1-4-12-9(11)6(2)8-5-10-7(3)13-8/h5-6H,4H2,1-3H3
InChIKeyRKCOOQLDFMFGPF-UHFFFAOYSA-N
XLogP2.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate?
The IUPAC name of ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate (CID 151728674) is ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate is CCOC(=O)C(C)c1cnc(C)s1.
What is the InChIKey of ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate?
The InChIKey is RKCOOQLDFMFGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-12-9(11)6(2)8-5-10-7(3)13-8/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate?
ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate has a molecular weight of 199.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-1,3-thiazol-5-yl)propanoate is sourced from PubChem (CID 151728674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).