(5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C20H19FN4O4S — CID 88920080

IUPAC(5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1c(Oc2cccc(/C=C3\SC(=O)NC3=O)c2)ncnc1OC1CCNCC1F
InChIInChI=1S/C20H19FN4O4S/c1-11-18(23-10-24-19(11)29-15-5-6-22-9-14(15)21)28-13-4-2-3-12(7-13)8-16-17(26)25-20(27)30-16/h2-4,7-8,10,14-15,22H,5-6,9H2,1H3,(H,25,26,27)/b16-8-
InChIKeyGFODYRCYFKNYTC-PXNMLYILSA-N
MW430.46 g/mol
LogP2.98
Rot. Bonds5

About (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 88920080) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID88920080
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name(5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1c(Oc2cccc(/C=C3\SC(=O)NC3=O)c2)ncnc1OC1CCNCC1F
InChIInChI=1S/C20H19FN4O4S/c1-11-18(23-10-24-19(11)29-15-5-6-22-9-14(15)21)28-13-4-2-3-12(7-13)8-16-17(26)25-20(27)30-16/h2-4,7-8,10,14-15,22H,5-6,9H2,1H3,(H,25,26,27)/b16-8-
InChIKeyGFODYRCYFKNYTC-PXNMLYILSA-N
XLogP2.98
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 123232126
2-tert-butyl-4-[6-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 118249771
(5E)-5-[[3-[6-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87223676
5-[[3-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]methylidene]-3-(2-oxopropyl)-1,3-thiazolidine-2,4-dione
CID 87223727
4-[6-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 123193793
(5E)-5-[[3-[6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87223728
2-[3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid
CID 43829040
2-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 44608840
tert-butyl 4-[6-[3-[(Z)-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 87223817
1-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidin-4-yl]-2,3-dihydropyrrolo[3,2-b]pyridine
CID 66791252
2-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 16634167
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 88920080) is (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1c(Oc2cccc(/C=C3\SC(=O)NC3=O)c2)ncnc1OC1CCNCC1F.
What is the InChIKey of (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GFODYRCYFKNYTC-PXNMLYILSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-11-18(23-10-24-19(11)29-15-5-6-22-9-14(15)21)28-13-4-2-3-12(7-13)8-16-17(26)25-20(27)30-16/h2-4,7-8,10,14-15,22H,5-6,9H2,1H3,(H,25,26,27)/b16-8-.
What are the key properties of (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 430.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-[6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 88920080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).