(E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

C21H20N2O2S — CID 71795349

IUPAC(E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H20N2O2S/c1-15-19(26-21(23-15)17-6-4-3-5-7-17)14-22-20(24)13-10-16-8-11-18(25-2)12-9-16/h3-13H,14H2,1-2H3,(H,22,24)/b13-10+
InChIKeyQDTSGUQQGKPYMA-JLHYYAGUSA-N
MW364.47 g/mol
LogP4.46
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 71795349) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID71795349
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H20N2O2S/c1-15-19(26-21(23-15)17-6-4-3-5-7-17)14-22-20(24)13-10-16-8-11-18(25-2)12-9-16/h3-13H,14H2,1-2H3,(H,22,24)/b13-10+
InChIKeyQDTSGUQQGKPYMA-JLHYYAGUSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.46
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)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 121122617
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111182365
(E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90547082
3-(4-fluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 71960575
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 91939231
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546349
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316972
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide (CID 71795349) is (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is QDTSGUQQGKPYMA-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15-19(26-21(23-15)17-6-4-3-5-7-17)14-22-20(24)13-10-16-8-11-18(25-2)12-9-16/h3-13H,14H2,1-2H3,(H,22,24)/b13-10+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 364.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 71795349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).