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

C12H8N4O2S — CID 57489701

IUPAC(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cnn(-c3ccccc3)n2)S1
InChIInChI=1S/C12H8N4O2S/c17-11-10(19-12(18)14-11)6-8-7-13-16(15-8)9-4-2-1-3-5-9/h1-7H,(H,14,17,18)/b10-6-
InChIKeyDHPCXXPPAJOXRS-POHAHGRESA-N
MW272.29 g/mol
LogP1.59
Rot. Bonds2

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

(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 57489701) has the molecular formula C12H8N4O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID57489701
Molecular FormulaC12H8N4O2S
Molecular Weight272.29 g/mol
Exact Mass272.04
IUPAC Name(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cnn(-c3ccccc3)n2)S1
InChIInChI=1S/C12H8N4O2S/c17-11-10(19-12(18)14-11)6-8-7-13-16(15-8)9-4-2-1-3-5-9/h1-7H,(H,14,17,18)/b10-6-
InChIKeyDHPCXXPPAJOXRS-POHAHGRESA-N
XLogP1.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
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-phenyltriazol-4-yl)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-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 57489701) is (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cnn(-c3ccccc3)n2)S1.
What is the InChIKey of (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DHPCXXPPAJOXRS-POHAHGRESA-N. The full InChI is InChI=1S/C12H8N4O2S/c17-11-10(19-12(18)14-11)6-8-7-13-16(15-8)9-4-2-1-3-5-9/h1-7H,(H,14,17,18)/b10-6-.
What are the key properties of (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 272.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 57489701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).