2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one

C14H15Cl2N3O2S — CID 2725171

IUPAC2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1=NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O2S/c1-21-6-2-5-19-13(20)9-22-14(19)18-17-8-10-3-4-11(15)12(16)7-10/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyJBJNRURCRLHJID-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.30
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one

2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 2725171) has the molecular formula C14H15Cl2N3O2S and a molecular weight of 360.27 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
PubChem CID2725171
Molecular FormulaC14H15Cl2N3O2S
Molecular Weight360.27 g/mol
Exact Mass359.03
IUPAC Name2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1=NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O2S/c1-21-6-2-5-19-13(20)9-22-14(19)18-17-8-10-3-4-11(15)12(16)7-10/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyJBJNRURCRLHJID-UHFFFAOYSA-N
XLogP3.30
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (CID 2725171) is 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is COCCCN1C(=O)CSC1=NN=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is JBJNRURCRLHJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2S/c1-21-6-2-5-19-13(20)9-22-14(19)18-17-8-10-3-4-11(15)12(16)7-10/h3-4,7-8H,2,5-6,9H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 360.27 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2725171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).