(5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one

C17H11ClN4OS2 — CID 136822931

IUPAC(5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NNc2nc3ccccc3s2)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClN4OS2/c18-11-7-5-10(6-8-11)9-14-15(23)20-17(25-14)22-21-16-19-12-3-1-2-4-13(12)24-16/h1-9H,(H,19,21)(H,20,22,23)/b14-9+
InChIKeyOLXDKKKQAINMCG-NTEUORMPSA-N
MW386.89 g/mol
LogP4.54
Rot. Bonds3

About (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 136822931) has the molecular formula C17H11ClN4OS2 and a molecular weight of 386.89 g/mol. Its IUPAC name is (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID136822931
Molecular FormulaC17H11ClN4OS2
Molecular Weight386.89 g/mol
Exact Mass386.01
IUPAC Name(5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NNc2nc3ccccc3s2)S/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClN4OS2/c18-11-7-5-10(6-8-11)9-14-15(23)20-17(25-14)22-21-16-19-12-3-1-2-4-13(12)24-16/h1-9H,(H,19,21)(H,20,22,23)/b14-9+
InChIKeyOLXDKKKQAINMCG-NTEUORMPSA-N
XLogP4.54
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,5Z)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135981983
(5E)-2-(2-bromophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782339
N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine
CID 4309192
(5E)-5-[(4-chlorophenyl)methylidene]-2-(3,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136782340
(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062975
N-(1,3-benzothiazol-2-yl)-2-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl]oxyacetamide
CID 166630289
(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 136913826
5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 135416195
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
(5E)-2-(4-chlorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782250
2-[[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834514
(2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 2302262

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 136822931) is (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1NC(=NNc2nc3ccccc3s2)S/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OLXDKKKQAINMCG-NTEUORMPSA-N. The full InChI is InChI=1S/C17H11ClN4OS2/c18-11-7-5-10(6-8-11)9-14-15(23)20-17(25-14)22-21-16-19-12-3-1-2-4-13(12)24-16/h1-9H,(H,19,21)(H,20,22,23)/b14-9+.
What are the key properties of (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 386.89 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136822931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).