5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane

C17H30N2OS — CID 143468064

IUPAC5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
SMILESCC.O=C1N/C(=N/C2CCCCC2)SC1C1CCCCC1
InChIInChI=1S/C15H24N2OS.C2H6/c18-14-13(11-7-3-1-4-8-11)19-15(17-14)16-12-9-5-2-6-10-12;1-2/h11-13H,1-10H2,(H,16,17,18);1-2H3
InChIKeyYJSGBGYNJCZTLR-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.51
Rot. Bonds2

About 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane

5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane (PubChem CID 143468064) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane.

Molecular Properties

Compound Name5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
PubChem CID143468064
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
SMILESCC.O=C1N/C(=N/C2CCCCC2)SC1C1CCCCC1
InChIInChI=1S/C15H24N2OS.C2H6/c18-14-13(11-7-3-1-4-8-11)19-15(17-14)16-12-9-5-2-6-10-12;1-2/h11-13H,1-10H2,(H,16,17,18);1-2H3
InChIKeyYJSGBGYNJCZTLR-UHFFFAOYSA-N
XLogP4.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.51
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 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane?
The IUPAC name of 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane (CID 143468064) is 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane.
What is the SMILES notation for 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane?
The canonical SMILES for 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane is CC.O=C1N/C(=N/C2CCCCC2)SC1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane?
The InChIKey is YJSGBGYNJCZTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.C2H6/c18-14-13(11-7-3-1-4-8-11)19-15(17-14)16-12-9-5-2-6-10-12;1-2/h11-13H,1-10H2,(H,16,17,18);1-2H3.
What are the key properties of 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane?
5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane has a molecular weight of 310.51 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane is sourced from PubChem (CID 143468064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).