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

C14H12N2O2S — CID 24632450

IUPAC(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
SMILESCC(=O)c1csc(NC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C14H12N2O2S/c1-10(17)12-9-19-14(15-12)16-13(18)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,18)/b8-7+
InChIKeyYZKUHKAWUFGPHJ-BQYQJAHWSA-N
MW272.33 g/mol
LogP3.00
Rot. Bonds4

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

(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide (PubChem CID 24632450) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
PubChem CID24632450
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
SMILESCC(=O)c1csc(NC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C14H12N2O2S/c1-10(17)12-9-19-14(15-12)16-13(18)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,18)/b8-7+
InChIKeyYZKUHKAWUFGPHJ-BQYQJAHWSA-N
XLogP3.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.00
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-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26687032
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 134030881
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 43040220
N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide
CID 174923780
(E)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 16820246
2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 28858305
(E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 6116402
3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 732155
(E)-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41229516
(E)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 27297928
(E)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-phenylprop-2-enamide;hydrochloride
CID 163326029

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide (CID 24632450) is (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is CC(=O)c1csc(NC(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
The InChIKey is YZKUHKAWUFGPHJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-10(17)12-9-19-14(15-12)16-13(18)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16,18)/b8-7+.
What are the key properties of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide?
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide has a molecular weight of 272.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 24632450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).