ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

C14H15NO2S — CID 53407520

IUPACethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(CC)cc2)n1
InChIInChI=1S/C14H15NO2S/c1-3-10-5-7-11(8-6-10)13-15-12(9-18-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3
InChIKeyVZKQGDPMMDOKOS-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.55
Rot. Bonds4

About ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 53407520) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID53407520
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(CC)cc2)n1
InChIInChI=1S/C14H15NO2S/c1-3-10-5-7-11(8-6-10)13-15-12(9-18-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3
InChIKeyVZKQGDPMMDOKOS-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate (CID 53407520) is ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(CC)cc2)n1.
What is the InChIKey of ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is VZKQGDPMMDOKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-10-5-7-11(8-6-10)13-15-12(9-18-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53407520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).