N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide

C12H14N2O2S — CID 803179

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H14N2O2S/c1-2-16-10-5-3-9(4-6-10)11(15)14-12-13-7-8-17-12/h3-6H,2,7-8H2,1H3,(H,13,14,15)
InChIKeyXDCSNGFVXISVKJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.92
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide (PubChem CID 803179) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
PubChem CID803179
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H14N2O2S/c1-2-16-10-5-3-9(4-6-10)11(15)14-12-13-7-8-17-12/h3-6H,2,7-8H2,1H3,(H,13,14,15)
InChIKeyXDCSNGFVXISVKJ-UHFFFAOYSA-N
XLogP1.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide 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-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide (CID 803179) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The InChIKey is XDCSNGFVXISVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-16-10-5-3-9(4-6-10)11(15)14-12-13-7-8-17-12/h3-6H,2,7-8H2,1H3,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide has a molecular weight of 250.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide is sourced from PubChem (CID 803179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).