ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate

C18H16N2O2S — CID 10853437

IUPACethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H16N2O2S/c1-2-22-17(21)16-15(13-9-5-3-6-10-13)20-18(23-16)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,20)
InChIKeyWPJDKZJWTYWGAV-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.73
Rot. Bonds5

About ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 10853437) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID10853437
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Nameethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H16N2O2S/c1-2-22-17(21)16-15(13-9-5-3-6-10-13)20-18(23-16)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,20)
InChIKeyWPJDKZJWTYWGAV-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate (CID 10853437) is ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is WPJDKZJWTYWGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-22-17(21)16-15(13-9-5-3-6-10-13)20-18(23-16)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 324.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 10853437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).