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

C15H18N2OS — CID 2827743

IUPAC3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C15H18N2OS/c18-14-11-19-15(16-12-7-3-1-4-8-12)17(14)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2/b16-15-
InChIKeyOLEGOQMWZLEAEP-NXVVXOECSA-N
MW274.39 g/mol
LogP3.58
Rot. Bonds2

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

3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 2827743) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID2827743
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C15H18N2OS/c18-14-11-19-15(16-12-7-3-1-4-8-12)17(14)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2/b16-15-
InChIKeyOLEGOQMWZLEAEP-NXVVXOECSA-N
XLogP3.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.58
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 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one (CID 2827743) is 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccccc2)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is OLEGOQMWZLEAEP-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-14-11-19-15(16-12-7-3-1-4-8-12)17(14)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2/b16-15-.
What are the key properties of 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one?
3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 274.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 2827743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).