2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide

C19H18FN3O2S — CID 3928648

IUPAC2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1
InChIInChI=1S/C19H18FN3O2S/c1-12-4-3-5-15(10-12)21-17(24)11-16-18(25)23(2)19(26-16)22-14-8-6-13(20)7-9-14/h3-10,16H,11H2,1-2H3,(H,21,24)/b22-19+
InChIKeyYCVJINLTCYZHHM-ZBJSNUHESA-N
MW371.44 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide

2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide (PubChem CID 3928648) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
PubChem CID3928648
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1
InChIInChI=1S/C19H18FN3O2S/c1-12-4-3-5-15(10-12)21-17(24)11-16-18(25)23(2)19(26-16)22-14-8-6-13(20)7-9-14/h3-10,16H,11H2,1-2H3,(H,21,24)/b22-19+
InChIKeyYCVJINLTCYZHHM-ZBJSNUHESA-N
XLogP3.72
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide 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

2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 3109980
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate
CID 2833590
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
N-(2,4-dimethylphenyl)-2-(3-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 2981149
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 654546
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
CID 2833596
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626
2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 2936271

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide (CID 3928648) is 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CC2S/C(=N/c3ccc(F)cc3)N(C)C2=O)c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is YCVJINLTCYZHHM-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12-4-3-5-15(10-12)21-17(24)11-16-18(25)23(2)19(26-16)22-14-8-6-13(20)7-9-14/h3-10,16H,11H2,1-2H3,(H,21,24)/b22-19+.
What are the key properties of 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide?
2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3928648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).