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

C20H18N2O2S — CID 1182206

IUPAC(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C20H18N2O2S/c1-14-19(16-9-4-3-5-10-16)22-20(25-14)21-18(23)13-12-15-8-6-7-11-17(15)24-2/h3-13H,1-2H3,(H,21,22,23)/b13-12+
InChIKeyNVGIJYHOQOQKOC-OUKQBFOZSA-N
MW350.44 g/mol
LogP4.78
Rot. Bonds5

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

(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 1182206) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID1182206
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C20H18N2O2S/c1-14-19(16-9-4-3-5-10-16)22-20(25-14)21-18(23)13-12-15-8-6-7-11-17(15)24-2/h3-13H,1-2H3,(H,21,22,23)/b13-12+
InChIKeyNVGIJYHOQOQKOC-OUKQBFOZSA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)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

Related Compounds

3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7669441
(E)-N-(1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 746959
(E)-3-(2-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 16604814
(E)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 730245
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26196712
(E)-3-(2-methoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 716891
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(2-methoxyphenyl)prop-2-enamide
CID 2449449
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 18198247
(E)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 1047668

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 1182206) is (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is NVGIJYHOQOQKOC-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-19(16-9-4-3-5-10-16)22-20(25-14)21-18(23)13-12-15-8-6-7-11-17(15)24-2/h3-13H,1-2H3,(H,21,22,23)/b13-12+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 350.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 1182206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).