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

C22H20N2O4S — CID 26196712

IUPAC(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c(OC)c1
InChIInChI=1S/C22H20N2O4S/c1-14(25)21-20(16-7-5-4-6-8-16)24-22(29-21)23-19(26)12-10-15-9-11-17(27-2)13-18(15)28-3/h4-13H,1-3H3,(H,23,24,26)/b12-10+
InChIKeyWVGFPMRKWBBPBV-ZRDIBKRKSA-N
MW408.48 g/mol
LogP4.68
Rot. Bonds7

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

(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 26196712) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID26196712
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c(OC)c1
InChIInChI=1S/C22H20N2O4S/c1-14(25)21-20(16-7-5-4-6-8-16)24-22(29-21)23-19(26)12-10-15-9-11-17(27-2)13-18(15)28-3/h4-13H,1-3H3,(H,23,24,26)/b12-10+
InChIKeyWVGFPMRKWBBPBV-ZRDIBKRKSA-N
XLogP4.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.68
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

(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7669441
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 6116402
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 8918412
(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1182206
ethyl 2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1178375
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-bromo-5-methoxybenzamide
CID 26196544
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
3-(2,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 732753
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586093
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 16831339
methyl 2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110532642

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (CID 26196712) is (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c(OC)c1.
What is the InChIKey of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is WVGFPMRKWBBPBV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-14(25)21-20(16-7-5-4-6-8-16)24-22(29-21)23-19(26)12-10-15-9-11-17(27-2)13-18(15)28-3/h4-13H,1-3H3,(H,23,24,26)/b12-10+.
What are the key properties of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 408.48 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26196712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).