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

C15H19N3O2S — CID 168573973

IUPAC2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCCOc1cccc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C15H19N3O2S/c1-2-3-4-8-20-13-7-5-6-12(9-13)10-16-18-15-17-14(19)11-21-15/h5-7,9-10H,2-4,8,11H2,1H3,(H,17,18,19)
InChIKeyHIHMNQRTBZAUDM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.81
Rot. Bonds7

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

2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168573973) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168573973
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCCOc1cccc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C15H19N3O2S/c1-2-3-4-8-20-13-7-5-6-12(9-13)10-16-18-15-17-14(19)11-21-15/h5-7,9-10H,2-4,8,11H2,1H3,(H,17,18,19)
InChIKeyHIHMNQRTBZAUDM-UHFFFAOYSA-N
XLogP2.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
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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Related Compounds

2-[[3-(2-methoxyethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576478
2-[(4-nonoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574506
2-[(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576004
2-[[3-(methoxymethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574514
2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574258
methyl 4-[3-[3-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]propoxy]benzoate
CID 168574877
2-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574260
2-[(4-butoxy-3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574300
2-[(3-butoxy-4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574302
2-[(3,5-diethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575366
2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929682
4-[[3-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168574061

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168573973) is 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCCOc1cccc(C=NN=C2NC(=O)CS2)c1.
What is the InChIKey of 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HIHMNQRTBZAUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-3-4-8-20-13-7-5-6-12(9-13)10-16-18-15-17-14(19)11-21-15/h5-7,9-10H,2-4,8,11H2,1H3,(H,17,18,19).
What are the key properties of 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 305.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168573973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).