(2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

C20H19N3O2S — CID 135713456

IUPAC(2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCC1S/C(=N\N=C/c2ccc(OCc3ccccc3)cc2)NC1=O
InChIInChI=1S/C20H19N3O2S/c1-2-6-18-19(24)22-20(26-18)23-21-13-15-9-11-17(12-10-15)25-14-16-7-4-3-5-8-16/h2-5,7-13,18H,1,6,14H2,(H,22,23,24)/b21-13-
InChIKeySCGSWNHBPLTURS-BKUYFWCQSA-N
MW365.46 g/mol
LogP3.76
Rot. Bonds7

About (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 135713456) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID135713456
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCC1S/C(=N\N=C/c2ccc(OCc3ccccc3)cc2)NC1=O
InChIInChI=1S/C20H19N3O2S/c1-2-6-18-19(24)22-20(26-18)23-21-13-15-9-11-17(12-10-15)25-14-16-7-4-3-5-8-16/h2-5,7-13,18H,1,6,14H2,(H,22,23,24)/b21-13-
InChIKeySCGSWNHBPLTURS-BKUYFWCQSA-N
XLogP3.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (CID 135713456) is (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is C=CCC1S/C(=N\N=C/c2ccc(OCc3ccccc3)cc2)NC1=O.
What is the InChIKey of (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is SCGSWNHBPLTURS-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-6-18-19(24)22-20(26-18)23-21-13-15-9-11-17(12-10-15)25-14-16-7-4-3-5-8-16/h2-5,7-13,18H,1,6,14H2,(H,22,23,24)/b21-13-.
What are the key properties of (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 365.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-(4-phenylmethoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135713456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).