2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one

C16H25N3O3S — CID 135989626

IUPAC2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCCCC2)SC1CC(=O)N1CCOCC1
InChIInChI=1S/C16H25N3O3S/c20-14(19-7-9-22-10-8-19)11-13-15(21)18-16(23-13)17-12-5-3-1-2-4-6-12/h12-13H,1-11H2,(H,17,18,21)
InChIKeyRROAAULHCKWULD-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.55
Rot. Bonds3

About 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one

2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one (PubChem CID 135989626) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
PubChem CID135989626
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCCCC2)SC1CC(=O)N1CCOCC1
InChIInChI=1S/C16H25N3O3S/c20-14(19-7-9-22-10-8-19)11-13-15(21)18-16(23-13)17-12-5-3-1-2-4-6-12/h12-13H,1-11H2,(H,17,18,21)
InChIKeyRROAAULHCKWULD-UHFFFAOYSA-N
XLogP1.55
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135989290
2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one
CID 135414360
5-[2-(azepan-1-yl)-2-oxoethyl]-2-(2-bicyclo[2.2.1]hept-5-enylimino)-1,3-thiazolidin-4-one
CID 135997543
(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one
CID 135481730
5-[2-(azepan-1-yl)-2-oxoethyl]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135497059
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
3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 4893042
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135673145
2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 55843835
1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea
CID 154359157
2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135522439

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one (CID 135989626) is 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CCCCCC2)SC1CC(=O)N1CCOCC1.
What is the InChIKey of 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one?
The InChIKey is RROAAULHCKWULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-14(19-7-9-22-10-8-19)11-13-15(21)18-16(23-13)17-12-5-3-1-2-4-6-12/h12-13H,1-11H2,(H,17,18,21).
What are the key properties of 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one?
2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one has a molecular weight of 339.46 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).