(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

C16H13Cl2N3OS — CID 136906266

IUPAC(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1cccc(N=C2NC(=O)[C@H](Cc3ccc(Cl)cc3Cl)S2)n1
InChIInChI=1S/C16H13Cl2N3OS/c1-9-3-2-4-14(19-9)20-16-21-15(22)13(23-16)7-10-5-6-11(17)8-12(10)18/h2-6,8,13H,7H2,1H3,(H,19,20,21,22)/t13-/m0/s1
InChIKeyFFUIWDWZESKEQO-ZDUSSCGKSA-N
MW366.27 g/mol
LogP4.16
Rot. Bonds3

About (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one

(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (PubChem CID 136906266) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
PubChem CID136906266
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC Name(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
SMILESCc1cccc(N=C2NC(=O)[C@H](Cc3ccc(Cl)cc3Cl)S2)n1
InChIInChI=1S/C16H13Cl2N3OS/c1-9-3-2-4-14(19-9)20-16-21-15(22)13(23-16)7-10-5-6-11(17)8-12(10)18/h2-6,8,13H,7H2,1H3,(H,19,20,21,22)/t13-/m0/s1
InChIKeyFFUIWDWZESKEQO-ZDUSSCGKSA-N
XLogP4.16
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135483442
(2E,5R)-5-[(2-chlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665258
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687
2-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135498243
5-[(4-butylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135499121
(2E)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712126
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135665703
(5R)-5-[(2,3-dichlorophenyl)methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136720879
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764085
(5R)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136717082
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135675530
(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135707253

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one (CID 136906266) is (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is Cc1cccc(N=C2NC(=O)[C@H](Cc3ccc(Cl)cc3Cl)S2)n1.
What is the InChIKey of (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
The InChIKey is FFUIWDWZESKEQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c1-9-3-2-4-14(19-9)20-16-21-15(22)13(23-16)7-10-5-6-11(17)8-12(10)18/h2-6,8,13H,7H2,1H3,(H,19,20,21,22)/t13-/m0/s1.
What are the key properties of (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one?
(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one has a molecular weight of 366.27 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136906266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).