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

C15H16N2O4S — CID 2289366

IUPAC(E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-9H,1-3H3,(H,16,17,18)/b5-4+
InChIKeyAFWWGQYVVYWXIM-SNAWJCMRSA-N
MW320.37 g/mol
LogP2.82
Rot. Bonds6

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

(E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 2289366) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID2289366
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name(E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-9H,1-3H3,(H,16,17,18)/b5-4+
InChIKeyAFWWGQYVVYWXIM-SNAWJCMRSA-N
XLogP2.82
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)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-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 2289366) is (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2nccs2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is AFWWGQYVVYWXIM-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-19-11-8-10(9-12(20-2)14(11)21-3)4-5-13(18)17-15-16-6-7-22-15/h4-9H,1-3H3,(H,16,17,18)/b5-4+.
What are the key properties of (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 320.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2289366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).