2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

C17H27N3O3S — CID 135989290

IUPAC2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCCCC2)SC1CC(=O)N1CCCC(O)C1
InChIInChI=1S/C17H27N3O3S/c21-13-8-5-9-20(11-13)15(22)10-14-16(23)19-17(24-14)18-12-6-3-1-2-4-7-12/h12-14,21H,1-11H2,(H,18,19,23)
InChIKeyUCMPYDAZVBQAGI-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.67
Rot. Bonds3

About 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 135989290) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID135989290
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCCCC2)SC1CC(=O)N1CCCC(O)C1
InChIInChI=1S/C17H27N3O3S/c21-13-8-5-9-20(11-13)15(22)10-14-16(23)19-17(24-14)18-12-6-3-1-2-4-7-12/h12-14,21H,1-11H2,(H,18,19,23)
InChIKeyUCMPYDAZVBQAGI-UHFFFAOYSA-N
XLogP1.67
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
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-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
CID 135989626
2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one
CID 135414360
2-(cycloheptylmethyl)-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-4-one
CID 58048173
2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135890287
6-chloro-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 17393034
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135745346
(2R)-6-chloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 25388740
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135673145
3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 43415749
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-(3-hydroxypiperidin-1-yl)but-3-en-1-one
CID 62677982
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 135989290) is 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CCCCCC2)SC1CC(=O)N1CCCC(O)C1.
What is the InChIKey of 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is UCMPYDAZVBQAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c21-13-8-5-9-20(11-13)15(22)10-14-16(23)19-17(24-14)18-12-6-3-1-2-4-7-12/h12-14,21H,1-11H2,(H,18,19,23).
What are the key properties of 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 353.49 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).