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

C15H15NO4S — CID 134971859

IUPACethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(C)OC(=O)c2ccccc2)n1
InChIInChI=1S/C15H15NO4S/c1-3-19-15(18)12-9-21-13(16-12)10(2)20-14(17)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyWYMFBJWREMVZRP-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.24
Rot. Bonds5

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

ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate (PubChem CID 134971859) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate
PubChem CID134971859
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Nameethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C(C)OC(=O)c2ccccc2)n1
InChIInChI=1S/C15H15NO4S/c1-3-19-15(18)12-9-21-13(16-12)10(2)20-14(17)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyWYMFBJWREMVZRP-UHFFFAOYSA-N
XLogP3.24
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate (CID 134971859) is ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C(C)OC(=O)c2ccccc2)n1.
What is the InChIKey of ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WYMFBJWREMVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-19-15(18)12-9-21-13(16-12)10(2)20-14(17)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzoyloxyethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 134971859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).