ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

C15H14N2O5S — CID 13177583

IUPACethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccc(O)c(C(C)=O)c2)cs1
InChIInChI=1S/C15H14N2O5S/c1-3-22-14(21)13(20)17-15-16-11(7-23-15)9-4-5-12(19)10(6-9)8(2)18/h4-7,19H,3H2,1-2H3,(H,16,17,20)
InChIKeyFPAMDKBOKLFANX-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.22
Rot. Bonds4

About ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 13177583) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID13177583
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Nameethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccc(O)c(C(C)=O)c2)cs1
InChIInChI=1S/C15H14N2O5S/c1-3-22-14(21)13(20)17-15-16-11(7-23-15)9-4-5-12(19)10(6-9)8(2)18/h4-7,19H,3H2,1-2H3,(H,16,17,20)
InChIKeyFPAMDKBOKLFANX-UHFFFAOYSA-N
XLogP2.22
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 13177583) is ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(-c2ccc(O)c(C(C)=O)c2)cs1.
What is the InChIKey of ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is FPAMDKBOKLFANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-3-22-14(21)13(20)17-15-16-11(7-23-15)9-4-5-12(19)10(6-9)8(2)18/h4-7,19H,3H2,1-2H3,(H,16,17,20).
What are the key properties of ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 334.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(3-acetyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 13177583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).