(2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H17N3O3S — CID 135460516

IUPAC(2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/NC(=O)C(Cc3ccccc3)S2)ccc1O
InChIInChI=1S/C18H17N3O3S/c1-24-15-9-13(7-8-14(15)22)11-19-21-18-20-17(23)16(25-18)10-12-5-3-2-4-6-12/h2-9,11,16,22H,10H2,1H3,(H,20,21,23)/b19-11+
InChIKeyCSBPGIJGWXMQNB-YBFXNURJSA-N
MW355.42 g/mol
LogP2.57
Rot. Bonds5

About (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135460516) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135460516
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name(2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2/NC(=O)C(Cc3ccccc3)S2)ccc1O
InChIInChI=1S/C18H17N3O3S/c1-24-15-9-13(7-8-14(15)22)11-19-21-18-20-17(23)16(25-18)10-12-5-3-2-4-6-12/h2-9,11,16,22H,10H2,1H3,(H,20,21,23)/b19-11+
InChIKeyCSBPGIJGWXMQNB-YBFXNURJSA-N
XLogP2.57
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135460516) is (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N/N=C2/NC(=O)C(Cc3ccccc3)S2)ccc1O.
What is the InChIKey of (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CSBPGIJGWXMQNB-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-15-9-13(7-8-14(15)22)11-19-21-18-20-17(23)16(25-18)10-12-5-3-2-4-6-12/h2-9,11,16,22H,10H2,1H3,(H,20,21,23)/b19-11+.
What are the key properties of (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 355.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-benzyl-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135460516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).