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

C21H20N2O2S — CID 78840707

IUPAC(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O2S/c1-15-8-10-19(25-2)17(12-15)9-11-20(24)22-13-18-14-26-21(23-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,22,24)/b11-9+
InChIKeyFKGMEPPQQVJJPJ-PKNBQFBNSA-N
MW364.47 g/mol
LogP4.46
Rot. Bonds6

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

(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide (PubChem CID 78840707) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
PubChem CID78840707
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O2S/c1-15-8-10-19(25-2)17(12-15)9-11-20(24)22-13-18-14-26-21(23-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,22,24)/b11-9+
InChIKeyFKGMEPPQQVJJPJ-PKNBQFBNSA-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)-3-(2-ethoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 24632155
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 108760597
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464
(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 17164912
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
(E)-3-(2,4-dimethoxyphenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770775
N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77075442
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
(E)-3-(2-methoxy-5-methylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide
CID 35614601
[2-methoxy-4-[(E)-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methylamino]-3-oxoprop-1-enyl]phenyl] acetate
CID 108761235
2-methoxy-3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 106108090
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7669441

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide (CID 78840707) is (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide is COc1ccc(C)cc1/C=C/C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
The InChIKey is FKGMEPPQQVJJPJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15-8-10-19(25-2)17(12-15)9-11-20(24)22-13-18-14-26-21(23-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,22,24)/b11-9+.
What are the key properties of (E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide?
(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-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-(2-methoxy-5-methylphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 78840707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).