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

C20H15FN2O2S — CID 8918412

IUPAC(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCC(=O)c1sc(NC(=O)/C=C/c2ccccc2F)nc1-c1ccccc1
InChIInChI=1S/C20H15FN2O2S/c1-13(24)19-18(15-8-3-2-4-9-15)23-20(26-19)22-17(25)12-11-14-7-5-6-10-16(14)21/h2-12H,1H3,(H,22,23,25)/b12-11+
InChIKeyRSMLJVLDUHTALC-VAWYXSNFSA-N
MW366.42 g/mol
LogP4.80
Rot. Bonds5

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

(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 8918412) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID8918412
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCC(=O)c1sc(NC(=O)/C=C/c2ccccc2F)nc1-c1ccccc1
InChIInChI=1S/C20H15FN2O2S/c1-13(24)19-18(15-8-3-2-4-9-15)23-20(26-19)22-17(25)12-11-14-7-5-6-10-16(14)21/h2-12H,1H3,(H,22,23,25)/b12-11+
InChIKeyRSMLJVLDUHTALC-VAWYXSNFSA-N
XLogP4.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.80
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-phenylprop-2-enamide
CID 6116402
(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
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
(E)-3-(2-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1182206
N'-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418597
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
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
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2348668

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide (CID 8918412) is (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide is CC(=O)c1sc(NC(=O)/C=C/c2ccccc2F)nc1-c1ccccc1.
What is the InChIKey of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is RSMLJVLDUHTALC-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-13(24)19-18(15-8-3-2-4-9-15)23-20(26-19)22-17(25)12-11-14-7-5-6-10-16(14)21/h2-12H,1H3,(H,22,23,25)/b12-11+.
What are the key properties of (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 366.42 g/mol, XLogP of 4.80, 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-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 8918412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).