3-ethoxy-N-(1,3-thiazol-2-yl)benzamide

C12H12N2O2S — CID 792393

IUPAC3-ethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C12H12N2O2S/c1-2-16-10-5-3-4-9(8-10)11(15)14-12-13-6-7-17-12/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyFSVDGFBFHIAZHT-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.79
Rot. Bonds4

About 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide

3-ethoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 792393) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID792393
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-ethoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C12H12N2O2S/c1-2-16-10-5-3-4-9(8-10)11(15)14-12-13-6-7-17-12/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyFSVDGFBFHIAZHT-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide 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 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide (CID 792393) is 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide is CCOc1cccc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is FSVDGFBFHIAZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-16-10-5-3-4-9(8-10)11(15)14-12-13-6-7-17-12/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide?
3-ethoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 792393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).