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

C14H15NO3S — CID 12785117

IUPACethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C14H15NO3S/c1-3-17-13(16)10(2)11-4-6-12(7-5-11)18-14-15-8-9-19-14/h4-10H,3H2,1-2H3
InChIKeyJOUDNFRFTFKDOZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.60
Rot. Bonds5

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

ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate (PubChem CID 12785117) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
PubChem CID12785117
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Nameethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C14H15NO3S/c1-3-17-13(16)10(2)11-4-6-12(7-5-11)18-14-15-8-9-19-14/h4-10H,3H2,1-2H3
InChIKeyJOUDNFRFTFKDOZ-UHFFFAOYSA-N
XLogP3.60
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
CID 21440022
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
2-(4-propoxyphenoxy)-1,3-thiazole
CID 175814412
ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate
CID 150791633
3-phenyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoic acid
CID 13002628
propan-2-yl 2-methyl-2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
CID 70538271
ethyl 2-(4-methylsulfonyloxyphenyl)propanoate
CID 87441895
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
ethyl (2S)-2-phenylpropanoate
CID 7204861
N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide
CID 71977190
1-O-ethyl 3-O-(1,3-thiazol-2-yl) propanedioate
CID 174640375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate?
The IUPAC name of ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate (CID 12785117) is ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate.
What is the SMILES notation for ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate?
The canonical SMILES for ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate is CCOC(=O)C(C)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate?
The InChIKey is JOUDNFRFTFKDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-17-13(16)10(2)11-4-6-12(7-5-11)18-14-15-8-9-19-14/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate?
ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate has a molecular weight of 277.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate is sourced from PubChem (CID 12785117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).