2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one

C12H12N2OS — CID 59813928

IUPAC2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\C2CC2)N1c1ccccc1
InChIInChI=1S/C12H12N2OS/c15-11-8-16-12(13-9-6-7-9)14(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2/b13-12-
InChIKeyKJBVXMXQDVRZSG-SEYXRHQNSA-N
MW232.31 g/mol
LogP2.28
Rot. Bonds2

About 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one

2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 59813928) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
PubChem CID59813928
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\C2CC2)N1c1ccccc1
InChIInChI=1S/C12H12N2OS/c15-11-8-16-12(13-9-6-7-9)14(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2/b13-12-
InChIKeyKJBVXMXQDVRZSG-SEYXRHQNSA-N
XLogP2.28
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one (CID 59813928) is 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one is O=C1CS/C(=N\C2CC2)N1c1ccccc1.
What is the InChIKey of 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is KJBVXMXQDVRZSG-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-11-8-16-12(13-9-6-7-9)14(11)10-4-2-1-3-5-10/h1-5,9H,6-8H2/b13-12-.
What are the key properties of 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one?
2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 232.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 59813928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).