3-amino-2-phenylimino-1,3-thiazolidin-4-one

C9H9N3OS — CID 6456050

IUPAC3-amino-2-phenylimino-1,3-thiazolidin-4-one
SMILESNN1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C9H9N3OS/c10-12-8(13)6-14-9(12)11-7-4-2-1-3-5-7/h1-5H,6,10H2/b11-9-
InChIKeyIIBRMIIEVISXSO-LUAWRHEFSA-N
MW207.26 g/mol
LogP1.12
Rot. Bonds1

About 3-amino-2-phenylimino-1,3-thiazolidin-4-one

3-amino-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 6456050) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-amino-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-amino-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID6456050
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-amino-2-phenylimino-1,3-thiazolidin-4-one
SMILESNN1C(=O)CS/C1=N\c1ccccc1
InChIInChI=1S/C9H9N3OS/c10-12-8(13)6-14-9(12)11-7-4-2-1-3-5-7/h1-5H,6,10H2/b11-9-
InChIKeyIIBRMIIEVISXSO-LUAWRHEFSA-N
XLogP1.12
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-amino-2-phenylimino-1,3-thiazolidin-4-one (CID 6456050) is 3-amino-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-amino-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-amino-2-phenylimino-1,3-thiazolidin-4-one is NN1C(=O)CS/C1=N\c1ccccc1.
What is the InChIKey of 3-amino-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is IIBRMIIEVISXSO-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-12-8(13)6-14-9(12)11-7-4-2-1-3-5-7/h1-5H,6,10H2/b11-9-.
What are the key properties of 3-amino-2-phenylimino-1,3-thiazolidin-4-one?
3-amino-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 207.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 6456050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).