(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

C15H11Cl2N3O2S — CID 135850176

IUPAC(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=Cc2ccco2)S[C@H]1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-5-1-3-9(13(11)17)7-12-14(21)19-15(23-12)20-18-8-10-4-2-6-22-10/h1-6,8,12H,7H2,(H,19,20,21)/t12-/m0/s1
InChIKeyJZVJZNZVGCIPCX-LBPRGKRZSA-N
MW368.25 g/mol
LogP3.75
Rot. Bonds4

About (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135850176) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135850176
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=Cc2ccco2)S[C@H]1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2N3O2S/c16-11-5-1-3-9(13(11)17)7-12-14(21)19-15(23-12)20-18-8-10-4-2-6-22-10/h1-6,8,12H,7H2,(H,19,20,21)/t12-/m0/s1
InChIKeyJZVJZNZVGCIPCX-LBPRGKRZSA-N
XLogP3.75
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135475002
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135439641
(2Z)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887063
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135878945
(2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136843618
(2E)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135798981
5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135465250
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455712
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135421677
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 135815216
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334
(2E,5S)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666862

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135850176) is (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\N=Cc2ccco2)S[C@H]1Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is JZVJZNZVGCIPCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c16-11-5-1-3-9(13(11)17)7-12-14(21)19-15(23-12)20-18-8-10-4-2-6-22-10/h1-6,8,12H,7H2,(H,19,20,21)/t12-/m0/s1.
What are the key properties of (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 368.25 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135850176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).