ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate

C15H17NO2S — CID 150791633

IUPACethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(-c2nccs2)c(C)c1
InChIInChI=1S/C15H17NO2S/c1-4-18-15(17)11(3)12-5-6-13(10(2)9-12)14-16-7-8-19-14/h5-9,11H,4H2,1-3H3
InChIKeyKDYZNKRUCQDXSY-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.79
Rot. Bonds4

About ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate

ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate (PubChem CID 150791633) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate
PubChem CID150791633
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nameethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(-c2nccs2)c(C)c1
InChIInChI=1S/C15H17NO2S/c1-4-18-15(17)11(3)12-5-6-13(10(2)9-12)14-16-7-8-19-14/h5-9,11H,4H2,1-3H3
InChIKeyKDYZNKRUCQDXSY-UHFFFAOYSA-N
XLogP3.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (2S)-2-(3-methylphenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate?
The IUPAC name of ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate (CID 150791633) is ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate?
The canonical SMILES for ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate is CCOC(=O)C(C)c1ccc(-c2nccs2)c(C)c1.
What is the InChIKey of ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate?
The InChIKey is KDYZNKRUCQDXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-18-15(17)11(3)12-5-6-13(10(2)9-12)14-16-7-8-19-14/h5-9,11H,4H2,1-3H3.
What are the key properties of ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate?
ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate has a molecular weight of 275.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate is sourced from PubChem (CID 150791633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).