2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one

C12H20N2OS — CID 143468193

IUPAC2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\C2CCCCC2)NC1=O
InChIInChI=1S/C12H20N2OS/c1-8(2)10-11(15)14-12(16-10)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyURHONRNAPXYCBZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.56
Rot. Bonds2

About 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one

2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 143468193) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID143468193
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\C2CCCCC2)NC1=O
InChIInChI=1S/C12H20N2OS/c1-8(2)10-11(15)14-12(16-10)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyURHONRNAPXYCBZ-UHFFFAOYSA-N
XLogP2.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
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-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 143468193) is 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N\C2CCCCC2)NC1=O.
What is the InChIKey of 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is URHONRNAPXYCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)10-11(15)14-12(16-10)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 240.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylimino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 143468193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).