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

C24H26N2O4S — CID 90547082

IUPAC(E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCc2sc(-c3ccccc3C)nc2C)cc(OC)c1OC
InChIInChI=1S/C24H26N2O4S/c1-15-8-6-7-9-18(15)24-26-16(2)21(31-24)14-25-22(27)11-10-17-12-19(28-3)23(30-5)20(13-17)29-4/h6-13H,14H2,1-5H3,(H,25,27)/b11-10+
InChIKeyZOZPIGYENFINHW-ZHACJKMWSA-N
MW438.55 g/mol
LogP4.78
Rot. Bonds8

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

(E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 90547082) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID90547082
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name(E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCc2sc(-c3ccccc3C)nc2C)cc(OC)c1OC
InChIInChI=1S/C24H26N2O4S/c1-15-8-6-7-9-18(15)24-26-16(2)21(31-24)14-25-22(27)11-10-17-12-19(28-3)23(30-5)20(13-17)29-4/h6-13H,14H2,1-5H3,(H,25,27)/b11-10+
InChIKeyZOZPIGYENFINHW-ZHACJKMWSA-N
XLogP4.78
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 91939231
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
(E)-3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 71795349
1-(3,4-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547310
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
1-(3-methoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547272
(E)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 121122617
(E)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 60568773
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
N-(2-methylquinolin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4148032
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-phenoxybenzamide
CID 90547190
(Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 16867162

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 90547082) is (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCc2sc(-c3ccccc3C)nc2C)cc(OC)c1OC.
What is the InChIKey of (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is ZOZPIGYENFINHW-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-15-8-6-7-9-18(15)24-26-16(2)21(31-24)14-25-22(27)11-10-17-12-19(28-3)23(30-5)20(13-17)29-4/h6-13H,14H2,1-5H3,(H,25,27)/b11-10+.
What are the key properties of (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 438.55 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 90547082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).