5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione

C9H7ClN2O2S — CID 3119524

IUPAC5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Nc2ccccc2Cl)S1
InChIInChI=1S/C9H7ClN2O2S/c10-5-3-1-2-4-6(5)11-8-7(13)12-9(14)15-8/h1-4,8,11H,(H,12,13,14)
InChIKeySOKRPKNTYSPBLQ-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.06
Rot. Bonds2

About 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione

5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 3119524) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione
PubChem CID3119524
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Nc2ccccc2Cl)S1
InChIInChI=1S/C9H7ClN2O2S/c10-5-3-1-2-4-6(5)11-8-7(13)12-9(14)15-8/h1-4,8,11H,(H,12,13,14)
InChIKeySOKRPKNTYSPBLQ-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoic acid
CID 2930132
N-(2-chlorophenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618422
(2S)-2-(3-chloro-4-methylanilino)-4H-1,4-benzothiazin-3-one
CID 2100969
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51148430
(3S,4R)-4-(2-chloroanilino)-1,1-dioxothiolan-3-ol
CID 2435929
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169
N-(2-chlorophenyl)-2-[(5S)-2-cyclopropylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725249
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
CID 18807696
N-(2-chlorophenyl)oxetan-2-amine
CID 90006201
4-(2-chloroanilino)thiane-4-carboxylic acid
CID 61319012
N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione (CID 3119524) is 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Nc2ccccc2Cl)S1.
What is the InChIKey of 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is SOKRPKNTYSPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-5-3-1-2-4-6(5)11-8-7(13)12-9(14)15-8/h1-4,8,11H,(H,12,13,14).
What are the key properties of 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione?
5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione has a molecular weight of 242.69 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3119524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).