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

C9H7ClN2OS — CID 3145217

IUPAC3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN2OS/c10-6-1-3-7(4-2-6)12-8(13)5-14-9(12)11/h1-4,11H,5H2/b11-9-
InChIKeyKSXRWOHGBSJBRM-LUAWRHEFSA-N
MW226.69 g/mol
LogP2.35
Rot. Bonds1

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

3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 3145217) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID3145217
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClN2OS/c10-6-1-3-7(4-2-6)12-8(13)5-14-9(12)11/h1-4,11H,5H2/b11-9-
InChIKeyKSXRWOHGBSJBRM-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

Rhodanine, 3-(m-chlorophenyl)-
CID 99599
Rhodanine, 3-(p-chlorophenyl)-5-methyl-
CID 22343
Rhodanine, 3-(4-chlorophenyl)-
CID 83070
N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431156
3-(2-Chlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 15998951
(2Z)-2-[(4-chlorophenyl)imino]-1,3-thiazolidin-4-one
CID 135458732
3-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 1475313
2-Imino-3-phenyl-1,3-thiazolidin-4-one
CID 249589
S-{2-[(4-chlorophenyl)amino]-2-oxoethyl} thiocarbamate
CID 873475
3-(3-Chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
CID 1239269
3-(4-Chlorophenyl)-4-methyl-1,3-thiazolin-2-imine
CID 1537483
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
CID 2887645

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one (CID 3145217) is 3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is KSXRWOHGBSJBRM-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-6-1-3-7(4-2-6)12-8(13)5-14-9(12)11/h1-4,11H,5H2/b11-9-.
What are the key properties of 3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one?
3-(4-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-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3145217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).