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

C15H11Cl2N3OS — CID 136773710

IUPAC(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1NC(=Nc2ccccn2)S[C@@H]1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2N3OS/c16-10-4-5-11(17)9(7-10)8-12-14(21)20-15(22-12)19-13-3-1-2-6-18-13/h1-7,12H,8H2,(H,18,19,20,21)/t12-/m1/s1
InChIKeyLJBNPTDSLKODJY-GFCCVEGCSA-N
MW352.25 g/mol
LogP3.85
Rot. Bonds3

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

(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 136773710) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID136773710
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1NC(=Nc2ccccn2)S[C@@H]1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2N3OS/c16-10-4-5-11(17)9(7-10)8-12-14(21)20-15(22-12)19-13-3-1-2-6-18-13/h1-7,12H,8H2,(H,18,19,20,21)/t12-/m1/s1
InChIKeyLJBNPTDSLKODJY-GFCCVEGCSA-N
XLogP3.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.85
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

(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135707253
(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
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764085
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135665703
(5S)-5-[(4-bromophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136851170
(2E)-5-[(4-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135495445
(5S)-5-[(2,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 136906266
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-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764088
(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135665721

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 136773710) is (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is O=C1NC(=Nc2ccccn2)S[C@@H]1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is LJBNPTDSLKODJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c16-10-4-5-11(17)9(7-10)8-12-14(21)20-15(22-12)19-13-3-1-2-6-18-13/h1-7,12H,8H2,(H,18,19,20,21)/t12-/m1/s1.
What are the key properties of (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 352.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2,5-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136773710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).