(5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C24H24N6O4S — CID 118339564

IUPAC(5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(N3CCOCC3)nc(N3CC4(CN(C(=O)c5ccccc5)C4)C3)n2)S1
InChIInChI=1S/C24H24N6O4S/c31-20-18(35-23(33)27-20)10-17-11-19(28-6-8-34-9-7-28)26-22(25-17)30-14-24(15-30)12-29(13-24)21(32)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-15H2,(H,27,31,33)/b18-10-
InChIKeySGXWNMNPTZROOE-ZDLGFXPLSA-N
MW492.56 g/mol
LogP1.60
Rot. Bonds4

About (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118339564) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118339564
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC Name(5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(N3CCOCC3)nc(N3CC4(CN(C(=O)c5ccccc5)C4)C3)n2)S1
InChIInChI=1S/C24H24N6O4S/c31-20-18(35-23(33)27-20)10-17-11-19(28-6-8-34-9-7-28)26-22(25-17)30-14-24(15-30)12-29(13-24)21(32)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-15H2,(H,27,31,33)/b18-10-
InChIKeySGXWNMNPTZROOE-ZDLGFXPLSA-N
XLogP1.60
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[6-morpholin-4-yl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118339504
6-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-phenoxypyrimidin-2-yl]-N-phenyl-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 118339271
(5Z)-5-[[6-(4-methylpiperazin-1-yl)-2-(4-pyridin-3-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118339263
5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 75571053
(5E)-5-[[2-[2-(benzenesulfonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-6-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118339612
2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
CID 4521443
(5E)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87325668
(5E)-5-[[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118339267
(5E)-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310791
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-phenoxypyrimidin-2-yl]-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 118339700
2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
CID 170975673
2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
CID 6989309

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118339564) is (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc(N3CCOCC3)nc(N3CC4(CN(C(=O)c5ccccc5)C4)C3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SGXWNMNPTZROOE-ZDLGFXPLSA-N. The full InChI is InChI=1S/C24H24N6O4S/c31-20-18(35-23(33)27-20)10-17-11-19(28-6-8-34-9-7-28)26-22(25-17)30-14-24(15-30)12-29(13-24)21(32)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-15H2,(H,27,31,33)/b18-10-.
What are the key properties of (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 492.56 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(2-benzoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118339564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).