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

C15H19N3OS2 — CID 168574258

IUPAC2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCCSc1cccc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C15H19N3OS2/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)
InChIKeyPBCRPGWLOSWJOC-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.52
Rot. Bonds7

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

2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574258) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574258
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCCSc1cccc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C15H19N3OS2/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)
InChIKeyPBCRPGWLOSWJOC-UHFFFAOYSA-N
XLogP3.52
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.52
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-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573973
2-[(4-nonoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574506
2-[(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576004
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-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929831
2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574049
2-[[3-(2-methoxyethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576478
2-[[3-(methoxymethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574514
2-[[3-(3,4-dimethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573879
2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574258) is 2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCCSc1cccc(C=NN=C2NC(=O)CS2)c1.
What is the InChIKey of 2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is PBCRPGWLOSWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/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-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 321.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pentylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).