N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide

C16H16N2O2S — CID 46663321

IUPACN-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(/C=C/C(=O)c2ccccc2)cs1
InChIInChI=1S/C16H16N2O2S/c1-3-18(12(2)19)16-17-14(11-21-16)9-10-15(20)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b10-9+
InChIKeyYZBUKXNPQGTJFF-MDZDMXLPSA-N
MW300.38 g/mol
LogP3.41
Rot. Bonds5

About N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 46663321) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide
PubChem CID46663321
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(/C=C/C(=O)c2ccccc2)cs1
InChIInChI=1S/C16H16N2O2S/c1-3-18(12(2)19)16-17-14(11-21-16)9-10-15(20)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b10-9+
InChIKeyYZBUKXNPQGTJFF-MDZDMXLPSA-N
XLogP3.41
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide 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 N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide (CID 46663321) is N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccccc2)cs1.
What is the InChIKey of N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YZBUKXNPQGTJFF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-18(12(2)19)16-17-14(11-21-16)9-10-15(20)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b10-9+.
What are the key properties of N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46663321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).