2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one

C16H13ClN2OS — CID 135648857

IUPAC2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1S/C(=N\c2ccccc2Cl)NC1=O
InChIInChI=1S/C16H13ClN2OS/c1-10-6-2-3-7-11(10)14-15(20)19-16(21-14)18-13-9-5-4-8-12(13)17/h2-9,14H,1H3,(H,18,19,20)
InChIKeyCDEGNMWONZNPKH-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.24
Rot. Bonds2

About 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one

2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 135648857) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID135648857
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1S/C(=N\c2ccccc2Cl)NC1=O
InChIInChI=1S/C16H13ClN2OS/c1-10-6-2-3-7-11(10)14-15(20)19-16(21-14)18-13-9-5-4-8-12(13)17/h2-9,14H,1H3,(H,18,19,20)
InChIKeyCDEGNMWONZNPKH-UHFFFAOYSA-N
XLogP4.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.24
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)-5-(4-methylphenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine
CID 135753605
2-tert-butylimino-5-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 136673263
2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 136715850
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(5Z)-2-(2-chlorophenyl)imino-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171983322
(5E)-2-(2-chlorophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135442979
2-(2-chlorophenyl)imino-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135531809
N-(2-chlorophenyl)-2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692022
(5Z)-2-(2-chlorophenyl)imino-5-[[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137059824
5-[2-(azepan-1-yl)-2-oxoethyl]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135497059
N-[4-[(E)-[2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
CID 135536220
5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 137083057

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one (CID 135648857) is 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccccc1C1S/C(=N\c2ccccc2Cl)NC1=O.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is CDEGNMWONZNPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-10-6-2-3-7-11(10)14-15(20)19-16(21-14)18-13-9-5-4-8-12(13)17/h2-9,14H,1H3,(H,18,19,20).
What are the key properties of 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 316.81 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-5-(2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135648857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).