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

C15H16BrN3O2S — CID 44609165

IUPAC(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESN[C@@H]1CCCN(c2c(Br)cccc2/C=C2\SC(=O)NC2=O)C1
InChIInChI=1S/C15H16BrN3O2S/c16-11-5-1-3-9(7-12-14(20)18-15(21)22-12)13(11)19-6-2-4-10(17)8-19/h1,3,5,7,10H,2,4,6,8,17H2,(H,18,20,21)/b12-7-/t10-/m1/s1
InChIKeyPYWZTKODXYPZLR-VPMLRQHESA-N
MW382.28 g/mol
LogP2.70
Rot. Bonds2

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

(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 44609165) has the molecular formula C15H16BrN3O2S and a molecular weight of 382.28 g/mol. Its IUPAC name is (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID44609165
Molecular FormulaC15H16BrN3O2S
Molecular Weight382.28 g/mol
Exact Mass381.01
IUPAC Name(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESN[C@@H]1CCCN(c2c(Br)cccc2/C=C2\SC(=O)NC2=O)C1
InChIInChI=1S/C15H16BrN3O2S/c16-11-5-1-3-9(7-12-14(20)18-15(21)22-12)13(11)19-6-2-4-10(17)8-19/h1,3,5,7,10H,2,4,6,8,17H2,(H,18,20,21)/b12-7-/t10-/m1/s1
InChIKeyPYWZTKODXYPZLR-VPMLRQHESA-N
XLogP2.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 44609165) is (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione is N[C@@H]1CCCN(c2c(Br)cccc2/C=C2\SC(=O)NC2=O)C1.
What is the InChIKey of (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PYWZTKODXYPZLR-VPMLRQHESA-N. The full InChI is InChI=1S/C15H16BrN3O2S/c16-11-5-1-3-9(7-12-14(20)18-15(21)22-12)13(11)19-6-2-4-10(17)8-19/h1,3,5,7,10H,2,4,6,8,17H2,(H,18,20,21)/b12-7-/t10-/m1/s1.
What are the key properties of (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 382.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-bromophenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 44609165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).