3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one

C9H7ClN2OS — CID 15998951

IUPAC3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-6-3-1-2-4-7(6)12-8(13)5-14-9(12)11/h1-4,11H,5H2/b11-9-
InChIKeyONHZMRWBSGAEDA-LUAWRHEFSA-N
MW226.69 g/mol
LogP2.35
Rot. Bonds1

About 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one

3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 15998951) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID15998951
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-6-3-1-2-4-7(6)12-8(13)5-14-9(12)11/h1-4,11H,5H2/b11-9-
InChIKeyONHZMRWBSGAEDA-LUAWRHEFSA-N
XLogP2.35
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431151
2-(2-Chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135999786
3-(2,5-Dichlorophenyl)-1,3-thiazolidin-4-one
CID 1478350
Stk347774
CID 135417096
2-Imino-3-phenyl-1,3-thiazolidin-4-one
CID 249589
3-(4-Chloro-phenyl)-2-imino-thiazolidin-4-one
CID 3145217
Rhodanine, 3-(2-chlorophenyl)-
CID 211720
3-(3-Chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
CID 1239269
S-{2-[(2-chlorophenyl)amino]-2-oxoethyl} thiocarbamate
CID 5345346
3-(2-Chlorophenyl)-2-ethylsulfanyl-3,5-dihydro-imidazol-4-one
CID 44295836
N-(2,3-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 137629450
N-(3-chlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 137629457

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one (CID 15998951) is 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is ONHZMRWBSGAEDA-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-6-3-1-2-4-7(6)12-8(13)5-14-9(12)11/h1-4,11H,5H2/b11-9-.
What are the key properties of 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 226.69 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 15998951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).