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

C20H15F3N2OS — CID 2120614

IUPAC(E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(-c2csc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C20H15F3N2OS/c1-13-5-8-15(9-6-13)17-12-27-19(24-17)25-18(26)10-7-14-3-2-4-16(11-14)20(21,22)23/h2-12H,1H3,(H,24,25,26)/b10-7+
InChIKeyYIGGSTKFTHAHCQ-JXMROGBWSA-N
MW388.41 g/mol
LogP5.79
Rot. Bonds4

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

(E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 2120614) has the molecular formula C20H15F3N2OS and a molecular weight of 388.41 g/mol. Its IUPAC name is (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID2120614
Molecular FormulaC20H15F3N2OS
Molecular Weight388.41 g/mol
Exact Mass388.09
IUPAC Name(E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(-c2csc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C20H15F3N2OS/c1-13-5-8-15(9-6-13)17-12-27-19(24-17)25-18(26)10-7-14-3-2-4-16(11-14)20(21,22)23/h2-12H,1H3,(H,24,25,26)/b10-7+
InChIKeyYIGGSTKFTHAHCQ-JXMROGBWSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(trifluoromethyl)phenyl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5151766
(E)-3-(3-bromophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7948149
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 5071825
(E)-N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 46632684
3-(3-nitrophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4104426
(E)-3-(3-fluorophenyl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 9100769
(Z)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-phenylprop-2-enamide
CID 2183439
[1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 6186113

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 2120614) is (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccc(-c2csc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is YIGGSTKFTHAHCQ-JXMROGBWSA-N. The full InChI is InChI=1S/C20H15F3N2OS/c1-13-5-8-15(9-6-13)17-12-27-19(24-17)25-18(26)10-7-14-3-2-4-16(11-14)20(21,22)23/h2-12H,1H3,(H,24,25,26)/b10-7+.
What are the key properties of (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 388.41 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2120614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).