(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one

C17H28N2OS — CID 135481730

IUPAC(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCCCC2)S[C@H]1CC1CCCCC1
InChIInChI=1S/C17H28N2OS/c20-16-15(12-13-8-4-3-5-9-13)21-17(19-16)18-14-10-6-1-2-7-11-14/h13-15H,1-12H2,(H,18,19,20)/t15-/m0/s1
InChIKeyPHSJXJDJTULCIR-HNNXBMFYSA-N
MW308.49 g/mol
LogP4.27
Rot. Bonds3

About (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one

(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one (PubChem CID 135481730) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one
PubChem CID135481730
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCCCC2)S[C@H]1CC1CCCCC1
InChIInChI=1S/C17H28N2OS/c20-16-15(12-13-8-4-3-5-9-13)21-17(19-16)18-14-10-6-1-2-7-11-14/h13-15H,1-12H2,(H,18,19,20)/t15-/m0/s1
InChIKeyPHSJXJDJTULCIR-HNNXBMFYSA-N
XLogP4.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.27
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-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one
CID 135414360
2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
CID 135989626
5-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one;ethane
CID 143468064
2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135989290
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
1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea
CID 154359157
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135673145
2-cyclohexylimino-1,3-thiazolidin-4-one
CID 135416648
(5R)-3-(2-aminoethyl)-5-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
CID 99128929
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 (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one (CID 135481730) is (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CCCCCC2)S[C@H]1CC1CCCCC1.
What is the InChIKey of (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is PHSJXJDJTULCIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2OS/c20-16-15(12-13-8-4-3-5-9-13)21-17(19-16)18-14-10-6-1-2-7-11-14/h13-15H,1-12H2,(H,18,19,20)/t15-/m0/s1.
What are the key properties of (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one?
(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135481730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).