2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H20N4OS — CID 168576217

IUPAC2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(N2CCCCC2)ccc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C16H20N4OS/c1-12-9-14(20-7-3-2-4-8-20)6-5-13(12)10-17-19-16-18-15(21)11-22-16/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,19,21)
InChIKeyAHRGYCZQWWOHGH-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.54
Rot. Bonds3

About 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576217) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576217
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(N2CCCCC2)ccc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C16H20N4OS/c1-12-9-14(20-7-3-2-4-8-20)6-5-13(12)10-17-19-16-18-15(21)11-22-16/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,19,21)
InChIKeyAHRGYCZQWWOHGH-UHFFFAOYSA-N
XLogP2.54
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574449
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazine
CID 168530146
2-[(6-methyl-1,3-benzodioxol-5-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574425
2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574340
2-[(2-chloro-3,5-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576582
[2,3-difluoro-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574463
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
[4-fluoro-2-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574608
2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574383
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576217) is 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1cc(N2CCCCC2)ccc1C=NN=C1NC(=O)CS1.
What is the InChIKey of 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is AHRGYCZQWWOHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-9-14(20-7-3-2-4-8-20)6-5-13(12)10-17-19-16-18-15(21)11-22-16/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,18,19,21).
What are the key properties of 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 316.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).