(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C20H20N4O2S — CID 70696694

IUPAC(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESN[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccncc2)C1
InChIInChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/b17-11-/t15-/m1/s1
InChIKeyHPGYBULDKFXBFU-QJISPJEISA-N
MW380.47 g/mol
LogP3.00
Rot. Bonds3

About (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 70696694) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID70696694
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESN[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccncc2)C1
InChIInChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/b17-11-/t15-/m1/s1
InChIKeyHPGYBULDKFXBFU-QJISPJEISA-N
XLogP3.00
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Gsk-1059615
CID 23582824
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810570
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
1-(3-Phenylpropyl)-4-[[(4R)-2-(3-pyridyl)thiazolidin-4-yl]carbonyl]piperazine
CID 10668473
PI3K inhibitor GS1059615
CID 71317162
3-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylpropanamide
CID 1371449
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 1810834
2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 5809710
N-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 44399229
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1810595
N-(3,4-dimethylphenyl)-2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]acetamide
CID 1810799
(5E)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23658330

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 70696694) is (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione is N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccncc2)C1.
What is the InChIKey of (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HPGYBULDKFXBFU-QJISPJEISA-N. The full InChI is InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/b17-11-/t15-/m1/s1.
What are the key properties of (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 380.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-pyridin-4-ylphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 70696694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).