(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one

C16H12Cl2N2OS — CID 135665703

IUPAC(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S[C@@H]1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2N2OS/c17-11-6-7-13(18)10(8-11)9-14-15(21)20-16(22-14)19-12-4-2-1-3-5-12/h1-8,14H,9H2,(H,19,20,21)/t14-/m1/s1
InChIKeyBKXWPKWWNAIQQW-CQSZACIVSA-N
MW351.26 g/mol
LogP4.46
Rot. Bonds3

About (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one

(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135665703) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135665703
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC Name(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S[C@@H]1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2N2OS/c17-11-6-7-13(18)10(8-11)9-14-15(21)20-16(22-14)19-12-4-2-1-3-5-12/h1-8,14H,9H2,(H,19,20,21)/t14-/m1/s1
InChIKeyBKXWPKWWNAIQQW-CQSZACIVSA-N
XLogP4.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.46
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

(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136773710
5-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135458588
(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135851513
(2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135782605
(5S)-5-[(2,3-dichlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135665701
5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137220432
(5R)-5-[(2,3-dichlorophenyl)methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136720879
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135782621
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135707423
5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135414145
(2E,5S)-5-[(2,5-dichlorophenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852036

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one (CID 135665703) is (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2)S[C@@H]1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is BKXWPKWWNAIQQW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c17-11-6-7-13(18)10(8-11)9-14-15(21)20-16(22-14)19-12-4-2-1-3-5-12/h1-8,14H,9H2,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one?
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 351.26 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135665703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).