ethyl 4-phenyl-1,3-thiazole-5-carboxylate

C12H11NO2S — CID 13441325

IUPACethyl 4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1scnc1-c1ccccc1
InChIInChI=1S/C12H11NO2S/c1-2-15-12(14)11-10(13-8-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyVUBSBLCFFDSRJO-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.99
Rot. Bonds3

About ethyl 4-phenyl-1,3-thiazole-5-carboxylate

ethyl 4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 13441325) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is ethyl 4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID13441325
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Nameethyl 4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1scnc1-c1ccccc1
InChIInChI=1S/C12H11NO2S/c1-2-15-12(14)11-10(13-8-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyVUBSBLCFFDSRJO-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-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-phenyl-1,3-thiazole-5-carboxylate (CID 13441325) is ethyl 4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1scnc1-c1ccccc1.
What is the InChIKey of ethyl 4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is VUBSBLCFFDSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-15-12(14)11-10(13-8-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 4-phenyl-1,3-thiazole-5-carboxylate 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-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 13441325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).