(E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide

C24H24N4O2S — CID 17203843

IUPAC(E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1nnc(C2CC(=O)N(c3ccc(C)c(C)c3)C2)s1
InChIInChI=1S/C24H24N4O2S/c1-15-9-10-20(12-16(15)2)28-14-19(13-21(28)29)23-26-27-24(31-23)25-22(30)17(3)11-18-7-5-4-6-8-18/h4-12,19H,13-14H2,1-3H3,(H,25,27,30)/b17-11+
InChIKeyCWASPMAVWMEEBO-GZTJUZNOSA-N
MW432.55 g/mol
LogP4.72
Rot. Bonds5

About (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide

(E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide (PubChem CID 17203843) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide
PubChem CID17203843
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name(E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1nnc(C2CC(=O)N(c3ccc(C)c(C)c3)C2)s1
InChIInChI=1S/C24H24N4O2S/c1-15-9-10-20(12-16(15)2)28-14-19(13-21(28)29)23-26-27-24(31-23)25-22(30)17(3)11-18-7-5-4-6-8-18/h4-12,19H,13-14H2,1-3H3,(H,25,27,30)/b17-11+
InChIKeyCWASPMAVWMEEBO-GZTJUZNOSA-N
XLogP4.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-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

(E)-2-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 17203849
N-[5-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 40966043
N-[5-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 40966404
N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 17204373
2,5-dichloro-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17203217
N-[5-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 40966136
(E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 17203780
N-[5-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 27262189
N-[5-[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,3-diphenylpropanamide
CID 17203282
N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17204337
(E)-N-[5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 17203479
2-[(4-chlorophenyl)methylsulfanyl]-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17204301

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide (CID 17203843) is (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)Nc1nnc(C2CC(=O)N(c3ccc(C)c(C)c3)C2)s1.
What is the InChIKey of (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide?
The InChIKey is CWASPMAVWMEEBO-GZTJUZNOSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15-9-10-20(12-16(15)2)28-14-19(13-21(28)29)23-26-27-24(31-23)25-22(30)17(3)11-18-7-5-4-6-8-18/h4-12,19H,13-14H2,1-3H3,(H,25,27,30)/b17-11+.
What are the key properties of (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide?
(E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide has a molecular weight of 432.55 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 17203843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).