(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea

C10H9N3O2S — CID 135501318

IUPAC(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
SMILESO=C1CS/C(=N/C(=O)Nc2ccccc2)N1
InChIInChI=1S/C10H9N3O2S/c14-8-6-16-10(12-8)13-9(15)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14,15)
InChIKeyIMVXGSUDMYZKNK-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.44
Rot. Bonds1

About (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea

(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea (PubChem CID 135501318) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea.

Molecular Properties

Compound Name(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
PubChem CID135501318
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
SMILESO=C1CS/C(=N/C(=O)Nc2ccccc2)N1
InChIInChI=1S/C10H9N3O2S/c14-8-6-16-10(12-8)13-9(15)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14,15)
InChIKeyIMVXGSUDMYZKNK-UHFFFAOYSA-N
XLogP1.44
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phenylurea
CID 137225686
(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
CID 135643498
1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
CID 173343875
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
CID 154441871
2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
CID 135399110
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 137194848
2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135490047
3-oxo-N-phenylpyrazolidine-1-carboxamide
CID 1482220

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea?
The IUPAC name of (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea (CID 135501318) is (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea.
What is the SMILES notation for (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea?
The canonical SMILES for (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea is O=C1CS/C(=N/C(=O)Nc2ccccc2)N1.
What is the InChIKey of (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea?
The InChIKey is IMVXGSUDMYZKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8-6-16-10(12-8)13-9(15)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14,15).
What are the key properties of (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea?
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea has a molecular weight of 235.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea is sourced from PubChem (CID 135501318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).