(5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C22H23N5O6S2 — CID 118339744

IUPAC(5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOCCOc1cc(/C=C2\SC(=O)NC2=O)nc(N2CC3(C2)CN(S(=O)(=O)c2ccccc2)C3)n1
InChIInChI=1S/C22H23N5O6S2/c1-32-7-8-33-18-10-15(9-17-19(28)25-21(29)34-17)23-20(24-18)26-11-22(12-26)13-27(14-22)35(30,31)16-5-3-2-4-6-16/h2-6,9-10H,7-8,11-14H2,1H3,(H,25,28,29)/b17-9-
InChIKeyYZNBMIXBYBBWJS-MFOYZWKCSA-N
MW517.59 g/mol
LogP1.34
Rot. Bonds8

About (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118339744) has the molecular formula C22H23N5O6S2 and a molecular weight of 517.59 g/mol. Its IUPAC name is (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118339744
Molecular FormulaC22H23N5O6S2
Molecular Weight517.59 g/mol
Exact Mass517.11
IUPAC Name(5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOCCOc1cc(/C=C2\SC(=O)NC2=O)nc(N2CC3(C2)CN(S(=O)(=O)c2ccccc2)C3)n1
InChIInChI=1S/C22H23N5O6S2/c1-32-7-8-33-18-10-15(9-17-19(28)25-21(29)34-17)23-20(24-18)26-11-22(12-26)13-27(14-22)35(30,31)16-5-3-2-4-6-16/h2-6,9-10H,7-8,11-14H2,1H3,(H,25,28,29)/b17-9-
InChIKeyYZNBMIXBYBBWJS-MFOYZWKCSA-N
XLogP1.34
TPSA131.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118339744) is (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is COCCOc1cc(/C=C2\SC(=O)NC2=O)nc(N2CC3(C2)CN(S(=O)(=O)c2ccccc2)C3)n1.
What is the InChIKey of (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YZNBMIXBYBBWJS-MFOYZWKCSA-N. The full InChI is InChI=1S/C22H23N5O6S2/c1-32-7-8-33-18-10-15(9-17-19(28)25-21(29)34-17)23-20(24-18)26-11-22(12-26)13-27(14-22)35(30,31)16-5-3-2-4-6-16/h2-6,9-10H,7-8,11-14H2,1H3,(H,25,28,29)/b17-9-.
What are the key properties of (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 517.59 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-(2-methoxyethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118339744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).