(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide

C13H14N2OS — CID 897475

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H14N2OS/c1-10-2-4-11(5-3-10)6-7-12(16)15-13-14-8-9-17-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-6+
InChIKeyUHKBQVSZRYZCSE-VOTSOKGWSA-N
MW246.34 g/mol
LogP2.23
Rot. Bonds2

About (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 897475) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID897475
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H14N2OS/c1-10-2-4-11(5-3-10)6-7-12(16)15-13-14-8-9-17-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-6+
InChIKeyUHKBQVSZRYZCSE-VOTSOKGWSA-N
XLogP2.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide 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 (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide (CID 897475) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC2=NCCS2)cc1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is UHKBQVSZRYZCSE-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-2-4-11(5-3-10)6-7-12(16)15-13-14-8-9-17-13/h2-7H,8-9H2,1H3,(H,14,15,16)/b7-6+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 246.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 897475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).