N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C13H13Cl2N3O2S — CID 2997628

IUPACN-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C
InChIInChI=1S/C13H13Cl2N3O2S/c1-16-13-18(2)12(20)9(21-13)6-10(19)17-8-5-3-4-7(14)11(8)15/h3-5,9H,6H2,1-2H3,(H,17,19)/b16-13+
InChIKeyLSVNCGUAGDAWBD-DTQAZKPQSA-N
MW346.24 g/mol
LogP2.88
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 2997628) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID2997628
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC NameN-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESC/N=C1/SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C
InChIInChI=1S/C13H13Cl2N3O2S/c1-16-13-18(2)12(20)9(21-13)6-10(19)17-8-5-3-4-7(14)11(8)15/h3-5,9H,6H2,1-2H3,(H,17,19)/b16-13+
InChIKeyLSVNCGUAGDAWBD-DTQAZKPQSA-N
XLogP2.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)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

(2Z)-N-(3-chlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139557
N-(4-chlorophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2937826
(2Z)-N-(3,4-dichlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 661493
2-[1-(3-Chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea
CID 2833597
2-{2-[(4-chlorophenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl}-N-ethylacetamide
CID 3972953
2-[(6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)thio]-N-(2,3-dichlorophenyl)acetamide
CID 135421166
1-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3155567
1-(2,3-Dichlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
CID 4518557
1-(3,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diphenylimidothiocarbamate
CID 2859515
N-(2,5-dichlorophenyl)-2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2936587
2-[(2Z)-2-[(2,5-dichlorophenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]-N-ethylacetamide
CID 3138932
N-(3,5-Dichlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 3139566

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 2997628) is N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is C/N=C1/SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is LSVNCGUAGDAWBD-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-16-13-18(2)12(20)9(21-13)6-10(19)17-8-5-3-4-7(14)11(8)15/h3-5,9H,6H2,1-2H3,(H,17,19)/b16-13+.
What are the key properties of N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 346.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 2997628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).