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

C13H11NO3S — CID 59291290

IUPACethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C=O)sc1-c1ccccc1
InChIInChI=1S/C13H11NO3S/c1-2-17-13(16)11-12(18-10(8-15)14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyVXJGEGBFHXZHLA-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.80
Rot. Bonds4

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

ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 59291290) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID59291290
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Nameethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C=O)sc1-c1ccccc1
InChIInChI=1S/C13H11NO3S/c1-2-17-13(16)11-12(18-10(8-15)14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyVXJGEGBFHXZHLA-UHFFFAOYSA-N
XLogP2.80
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 2-(2-bromoethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 174600643
ethyl 2-(acetyloxymethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291434
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-phenyl-1,3-thiazole-4-carboxylate
CID 59291551
ethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133062647
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
ethyl 2-amino-5-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 53271409
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
ethyl 5-formyl-4-(4-methoxyphenyl)-2-phenylthiophene-3-carboxylate
CID 102140906
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate (CID 59291290) is ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C=O)sc1-c1ccccc1.
What is the InChIKey of ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is VXJGEGBFHXZHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-2-17-13(16)11-12(18-10(8-15)14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate?
ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyl-5-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59291290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).