(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide

C23H21F3N4O3S — CID 55537571

IUPAC(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H21F3N4O3S/c1-16-14-21(30(28-16)20-5-2-4-18(15-20)23(24,25)26)27-22(31)11-8-17-6-9-19(10-7-17)29-12-3-13-34(29,32)33/h2,4-11,14-15H,3,12-13H2,1H3,(H,27,31)/b11-8+
InChIKeyNHNIFBMRFYYCJD-DHZHZOJOSA-N
MW490.51 g/mol
LogP4.39
Rot. Bonds5

About (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide

(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide (PubChem CID 55537571) has the molecular formula C23H21F3N4O3S and a molecular weight of 490.51 g/mol. Its IUPAC name is (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide
PubChem CID55537571
Molecular FormulaC23H21F3N4O3S
Molecular Weight490.51 g/mol
Exact Mass490.13
IUPAC Name(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H21F3N4O3S/c1-16-14-21(30(28-16)20-5-2-4-18(15-20)23(24,25)26)27-22(31)11-8-17-6-9-19(10-7-17)29-12-3-13-34(29,32)33/h2,4-11,14-15H,3,12-13H2,1H3,(H,27,31)/b11-8+
InChIKeyNHNIFBMRFYYCJD-DHZHZOJOSA-N
XLogP4.39
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55503618
(E)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 55537906
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-fluoro-4-methylphenyl)prop-2-enamide
CID 31291319
(E)-N-(3,4-dimethylphenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 31244089
(E)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 55519678
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 55610740
3-[[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide
CID 55510509
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55538983
N-[3-[[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 35331806
(E)-3-(4-fluorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]prop-2-enamide
CID 55519162
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methyl-3-nitrophenyl)prop-2-enamide
CID 31255276
(E)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-phenylprop-2-enamide
CID 55519781

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide (CID 55537571) is (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide?
The InChIKey is NHNIFBMRFYYCJD-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H21F3N4O3S/c1-16-14-21(30(28-16)20-5-2-4-18(15-20)23(24,25)26)27-22(31)11-8-17-6-9-19(10-7-17)29-12-3-13-34(29,32)33/h2,4-11,14-15H,3,12-13H2,1H3,(H,27,31)/b11-8+.
What are the key properties of (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide?
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide has a molecular weight of 490.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]prop-2-enamide is sourced from PubChem (CID 55537571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).