2-cyclohexylimino-1,3-thiazolidin-4-one

C9H14N2OS — CID 135416648

IUPAC2-cyclohexylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\C2CCCCC2)N1
InChIInChI=1S/C9H14N2OS/c12-8-6-13-9(11-8)10-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11,12)
InChIKeyLGDNSSDSIYKHAC-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.54
Rot. Bonds1

About 2-cyclohexylimino-1,3-thiazolidin-4-one

2-cyclohexylimino-1,3-thiazolidin-4-one (PubChem CID 135416648) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-cyclohexylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cyclohexylimino-1,3-thiazolidin-4-one
PubChem CID135416648
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-cyclohexylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\C2CCCCC2)N1
InChIInChI=1S/C9H14N2OS/c12-8-6-13-9(11-8)10-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11,12)
InChIKeyLGDNSSDSIYKHAC-UHFFFAOYSA-N
XLogP1.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylimino-1,3-thiazolidin-4-one
CID 135778872
(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137167956
(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
CID 135643498
(2Z)-2-(1-cyclohexylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137190321
2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one
CID 135990436
5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
CID 143468064
2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one
CID 135414360
N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934589
(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one
CID 135481730
(2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 137100915
N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984791
2-cyclohexyliminocyclohexan-1-one
CID 154158221

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylimino-1,3-thiazolidin-4-one?
The IUPAC name of 2-cyclohexylimino-1,3-thiazolidin-4-one (CID 135416648) is 2-cyclohexylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cyclohexylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cyclohexylimino-1,3-thiazolidin-4-one is O=C1CS/C(=N\C2CCCCC2)N1.
What is the InChIKey of 2-cyclohexylimino-1,3-thiazolidin-4-one?
The InChIKey is LGDNSSDSIYKHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-8-6-13-9(11-8)10-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11,12).
What are the key properties of 2-cyclohexylimino-1,3-thiazolidin-4-one?
2-cyclohexylimino-1,3-thiazolidin-4-one has a molecular weight of 198.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135416648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).