2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one

C12H20N2OS — CID 135414360

IUPAC2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/C2CCCCCC2)NC1=O
InChIInChI=1S/C12H20N2OS/c1-2-10-11(15)14-12(16-10)13-9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyCQFQVCIVLSZFFM-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.71
Rot. Bonds2

About 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one

2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one (PubChem CID 135414360) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one
PubChem CID135414360
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/C2CCCCCC2)NC1=O
InChIInChI=1S/C12H20N2OS/c1-2-10-11(15)14-12(16-10)13-9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyCQFQVCIVLSZFFM-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one
CID 135481730
5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
CID 143468064
2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
CID 135989626
2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135989290
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135673145
2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135890287
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135745346
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea
CID 154359157
2-cyclohexylimino-1,3-thiazolidin-4-one
CID 135416648
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 135673147
2-[(5R)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 135673146

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one (CID 135414360) is 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one is CCC1S/C(=N/C2CCCCCC2)NC1=O.
What is the InChIKey of 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one?
The InChIKey is CQFQVCIVLSZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-10-11(15)14-12(16-10)13-9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one?
2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one has a molecular weight of 240.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).