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

C15H11Cl2N3OS2 — CID 136843618

IUPAC(2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C\c2cccs2)S[C@H]1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2N3OS2/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)/b18-8-/t12-/m0/s1
InChIKeyNUICNRUIBGARID-QTPLJXKRSA-N
MW384.31 g/mol
LogP4.22
Rot. Bonds4

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

(2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 136843618) has the molecular formula C15H11Cl2N3OS2 and a molecular weight of 384.31 g/mol. Its IUPAC name is (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID136843618
Molecular FormulaC15H11Cl2N3OS2
Molecular Weight384.31 g/mol
Exact Mass382.97
IUPAC Name(2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C\c2cccs2)S[C@H]1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2N3OS2/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)/b18-8-/t12-/m0/s1
InChIKeyNUICNRUIBGARID-QTPLJXKRSA-N
XLogP4.22
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.22
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

(2E,5R)-5-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602930
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135475002
(5S)-5-[(4-chlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135878935
(2Z)-5-benzyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473234
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135878945
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135850176
5-[(4-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137186427
(2E)-5-[(4-propan-2-ylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135628357
5-[(3-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135456409
2-[(2Z,5R)-4-oxo-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 135794990
(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135711087
(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602921

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 136843618) is (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C\c2cccs2)S[C@H]1Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NUICNRUIBGARID-QTPLJXKRSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS2/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)/b18-8-/t12-/m0/s1.
What are the key properties of (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 384.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-5-[(2,3-dichlorophenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136843618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).