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

C20H16N2O2S — CID 6116402

IUPAC(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
SMILESCC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H16N2O2S/c1-14(23)19-18(16-10-6-3-7-11-16)22-20(25-19)21-17(24)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,21,22,24)/b13-12+
InChIKeyPWGBTAXBUIROSY-OUKQBFOZSA-N
MW348.43 g/mol
LogP4.66
Rot. Bonds5

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

(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide (PubChem CID 6116402) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
PubChem CID6116402
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
SMILESCC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H16N2O2S/c1-14(23)19-18(16-10-6-3-7-11-16)22-20(25-19)21-17(24)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,21,22,24)/b13-12+
InChIKeyPWGBTAXBUIROSY-OUKQBFOZSA-N
XLogP4.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.66
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-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 8918412
(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)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7669441
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1292001
4-methyl-2-(3-phenylprop-2-enoylamino)-1,3-thiazole-5-carboxylic acid
CID 78414592
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 4140632
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 24632450
(E)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 1047668
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide (CID 6116402) is (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is CC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The InChIKey is PWGBTAXBUIROSY-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-14(23)19-18(16-10-6-3-7-11-16)22-20(25-19)21-17(24)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,21,22,24)/b13-12+.
What are the key properties of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide has a molecular weight of 348.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6116402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).