(2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

C11H8N4OS2 — CID 135620584

IUPAC(2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2nnc(-c3ccccc3)s2)N1
InChIInChI=1S/C11H8N4OS2/c16-8-6-17-10(12-8)13-11-15-14-9(18-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13,15,16)
InChIKeyDRONOBDAPPBVEZ-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.06
Rot. Bonds2

About (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 135620584) has the molecular formula C11H8N4OS2 and a molecular weight of 276.35 g/mol. Its IUPAC name is (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID135620584
Molecular FormulaC11H8N4OS2
Molecular Weight276.35 g/mol
Exact Mass276.01
IUPAC Name(2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2nnc(-c3ccccc3)s2)N1
InChIInChI=1S/C11H8N4OS2/c16-8-6-17-10(12-8)13-11-15-14-9(18-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13,15,16)
InChIKeyDRONOBDAPPBVEZ-UHFFFAOYSA-N
XLogP2.06
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 135620584) is (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is O=C1CS/C(=N/c2nnc(-c3ccccc3)s2)N1.
What is the InChIKey of (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is DRONOBDAPPBVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS2/c16-8-6-17-10(12-8)13-11-15-14-9(18-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13,15,16).
What are the key properties of (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 276.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135620584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).