(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide

C11H7ClN2O3S — CID 18809115

IUPAC(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(/C=C1\SC(=O)NC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H7ClN2O3S/c12-6-2-1-3-7(4-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17)/b8-5-
InChIKeyPYPLQMCHDXTYLJ-YVMONPNESA-N
MW282.71 g/mol
LogP2.15
Rot. Bonds2

About (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide

(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (PubChem CID 18809115) has the molecular formula C11H7ClN2O3S and a molecular weight of 282.71 g/mol. Its IUPAC name is (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
PubChem CID18809115
Molecular FormulaC11H7ClN2O3S
Molecular Weight282.71 g/mol
Exact Mass281.99
IUPAC Name(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(/C=C1\SC(=O)NC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H7ClN2O3S/c12-6-2-1-3-7(4-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17)/b8-5-
InChIKeyPYPLQMCHDXTYLJ-YVMONPNESA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)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-bromophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809143
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 4737197
(2Z)-N-(3-chloro-4-methylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 18809139
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
CID 6199592
N-benzyl-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 2905869
[3-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]phenyl]carbamic acid
CID 87953838
(Z)-4-(3-chloroanilino)-2-hydroxy-4-oxobut-2-enoic acid
CID 54727747
2-[4-chloro-2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 71962966
(E)-2-chloro-4-(3-chloroanilino)-4-oxobut-2-enoic acid
CID 169488723
N-(3-chlorophenyl)-2-[4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 5042171
4-amino-N-[3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]benzamide
CID 86758834
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7221097

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The IUPAC name of (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide (CID 18809115) is (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The canonical SMILES for (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is O=C(/C=C1\SC(=O)NC1=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
The InChIKey is PYPLQMCHDXTYLJ-YVMONPNESA-N. The full InChI is InChI=1S/C11H7ClN2O3S/c12-6-2-1-3-7(4-6)13-9(15)5-8-10(16)14-11(17)18-8/h1-5H,(H,13,15)(H,14,16,17)/b8-5-.
What are the key properties of (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide?
(2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide has a molecular weight of 282.71 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide is sourced from PubChem (CID 18809115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).