ethyl 4-(1,3-thiazol-2-yl)benzoate

C12H11NO2S — CID 23510389

IUPACethyl 4-(1,3-thiazol-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C12H11NO2S/c1-2-15-12(14)10-5-3-9(4-6-10)11-13-7-8-16-11/h3-8H,2H2,1H3
InChIKeyDMLMADANFMMSJE-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.99
Rot. Bonds3

About ethyl 4-(1,3-thiazol-2-yl)benzoate

ethyl 4-(1,3-thiazol-2-yl)benzoate (PubChem CID 23510389) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is ethyl 4-(1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1,3-thiazol-2-yl)benzoate
PubChem CID23510389
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Nameethyl 4-(1,3-thiazol-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C12H11NO2S/c1-2-15-12(14)10-5-3-9(4-6-10)11-13-7-8-16-11/h3-8H,2H2,1H3
InChIKeyDMLMADANFMMSJE-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-thiazol-2-yl)benzoate?
The IUPAC name of ethyl 4-(1,3-thiazol-2-yl)benzoate (CID 23510389) is ethyl 4-(1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(1,3-thiazol-2-yl)benzoate?
The canonical SMILES for ethyl 4-(1,3-thiazol-2-yl)benzoate is CCOC(=O)c1ccc(-c2nccs2)cc1.
What is the InChIKey of ethyl 4-(1,3-thiazol-2-yl)benzoate?
The InChIKey is DMLMADANFMMSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-15-12(14)10-5-3-9(4-6-10)11-13-7-8-16-11/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-(1,3-thiazol-2-yl)benzoate?
ethyl 4-(1,3-thiazol-2-yl)benzoate has a molecular weight of 233.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 23510389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).