(E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide

C21H20N2O2S — CID 24632155

IUPAC(E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O2S/c1-2-25-19-11-7-6-8-16(19)12-13-20(24)22-14-18-15-26-21(23-18)17-9-4-3-5-10-17/h3-13,15H,2,14H2,1H3,(H,22,24)/b13-12+
InChIKeyMFDOMZBBFPJVDE-OUKQBFOZSA-N
MW364.47 g/mol
LogP4.54
Rot. Bonds7

About (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide (PubChem CID 24632155) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
PubChem CID24632155
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O2S/c1-2-25-19-11-7-6-8-16(19)12-13-20(24)22-14-18-15-26-21(23-18)17-9-4-3-5-10-17/h3-13,15H,2,14H2,1H3,(H,22,24)/b13-12+
InChIKeyMFDOMZBBFPJVDE-OUKQBFOZSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 78840707
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 17164912
N-[(3-ethoxyphenyl)methyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 55784159
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111881038
(E)-3-(2-ethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052725
1-[[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449820
(E)-3-(2,4-dimethoxyphenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770775
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide
CID 29304402

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide (CID 24632155) is (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The InChIKey is MFDOMZBBFPJVDE-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-2-25-19-11-7-6-8-16(19)12-13-20(24)22-14-18-15-26-21(23-18)17-9-4-3-5-10-17/h3-13,15H,2,14H2,1H3,(H,22,24)/b13-12+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide has a molecular weight of 364.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 24632155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).