(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C15H11F3N2O2S — CID 26687032

IUPAC(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(=O)c1csc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H11F3N2O2S/c1-9(21)12-8-23-14(19-12)20-13(22)7-4-10-2-5-11(6-3-10)15(16,17)18/h2-8H,1H3,(H,19,20,22)/b7-4+
InChIKeyWGPJBOYOOBUUSD-QPJJXVBHSA-N
MW340.33 g/mol
LogP4.02
Rot. Bonds4

About (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 26687032) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID26687032
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(=O)c1csc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H11F3N2O2S/c1-9(21)12-8-23-14(19-12)20-13(22)7-4-10-2-5-11(6-3-10)15(16,17)18/h2-8H,1H3,(H,19,20,22)/b7-4+
InChIKeyWGPJBOYOOBUUSD-QPJJXVBHSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.02
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-phenylprop-2-enamide
CID 24632450
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 134030881
(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 898821
3-[3-(trifluoromethyl)phenyl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5151766
(E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2120614
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide
CID 26469398
(E)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]prop-2-enamide
CID 87722121
(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2679050
2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 28858305
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 43040220
(E)-N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26894403

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 26687032) is (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is CC(=O)c1csc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is WGPJBOYOOBUUSD-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-9(21)12-8-23-14(19-12)20-13(22)7-4-10-2-5-11(6-3-10)15(16,17)18/h2-8H,1H3,(H,19,20,22)/b7-4+.
What are the key properties of (E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 340.33 g/mol, XLogP of 4.02, 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-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 26687032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).