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

C21H20N2O2S — CID 166232048

IUPAC(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1cccc(COc2ccc(NC(=O)/C=C/c3cncs3)c(C)c2)c1
InChIInChI=1S/C21H20N2O2S/c1-15-4-3-5-17(10-15)13-25-18-6-8-20(16(2)11-18)23-21(24)9-7-19-12-22-14-26-19/h3-12,14H,13H2,1-2H3,(H,23,24)/b9-7+
InChIKeyFHMQVCIJWUQERX-VQHVLOKHSA-N
MW364.47 g/mol
LogP4.99
Rot. Bonds6

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

(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 166232048) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
PubChem CID166232048
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCc1cccc(COc2ccc(NC(=O)/C=C/c3cncs3)c(C)c2)c1
InChIInChI=1S/C21H20N2O2S/c1-15-4-3-5-17(10-15)13-25-18-6-8-20(16(2)11-18)23-21(24)9-7-19-12-22-14-26-19/h3-12,14H,13H2,1-2H3,(H,23,24)/b9-7+
InChIKeyFHMQVCIJWUQERX-VQHVLOKHSA-N
XLogP4.99
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 ≤ 54.99
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-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166196615
N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 154800116
(E)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232180
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
CID 119318002
4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673483
(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
CID 111431674
1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
CID 131963954
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 3520778

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide (CID 166232048) is (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide is Cc1cccc(COc2ccc(NC(=O)/C=C/c3cncs3)c(C)c2)c1.
What is the InChIKey of (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is FHMQVCIJWUQERX-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15-4-3-5-17(10-15)13-25-18-6-8-20(16(2)11-18)23-21(24)9-7-19-12-22-14-26-19/h3-12,14H,13H2,1-2H3,(H,23,24)/b9-7+.
What are the key properties of (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 364.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 166232048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).