2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H20N4OS — CID 168574340

IUPAC2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccccc2CN2CCCCC2)N1
InChIInChI=1S/C16H20N4OS/c21-15-12-22-16(18-15)19-17-10-13-6-2-3-7-14(13)11-20-8-4-1-5-9-20/h2-3,6-7,10H,1,4-5,8-9,11-12H2,(H,18,19,21)
InChIKeyABSUJNWPJBGEJG-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.23
Rot. Bonds4

About 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574340) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574340
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=NN=Cc2ccccc2CN2CCCCC2)N1
InChIInChI=1S/C16H20N4OS/c21-15-12-22-16(18-15)19-17-10-13-6-2-3-7-14(13)11-20-8-4-1-5-9-20/h2-3,6-7,10H,1,4-5,8-9,11-12H2,(H,18,19,21)
InChIKeyABSUJNWPJBGEJG-UHFFFAOYSA-N
XLogP2.23
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.23
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-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573992
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576171
2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576217
2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576327
2-[[4-(thiomorpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574296
(2E)-2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135634727
(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135558880
2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576530
(2Z)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135958947
(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135569133
(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135886580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574340) is 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=NN=Cc2ccccc2CN2CCCCC2)N1.
What is the InChIKey of 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ABSUJNWPJBGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-15-12-22-16(18-15)19-17-10-13-6-2-3-7-14(13)11-20-8-4-1-5-9-20/h2-3,6-7,10H,1,4-5,8-9,11-12H2,(H,18,19,21).
What are the key properties of 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 316.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).