(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione

C23H19FN2O3S — CID 137477983

IUPAC(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(C)C(/C=C1\SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H19FN2O3S/c1-12(2)16(11-20-22(28)26-23(29)30-20)15-8-9-19(25-21(15)27)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-12,16H,1-2H3,(H,25,27)(H,26,28,29)/b20-11-
InChIKeySIHNGHGMKNMOEZ-JAIQZWGSSA-N
MW422.48 g/mol
LogP4.94
Rot. Bonds4

About (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 137477983) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione
PubChem CID137477983
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC Name(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(C)C(/C=C1\SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H19FN2O3S/c1-12(2)16(11-20-22(28)26-23(29)30-20)15-8-9-19(25-21(15)27)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-12,16H,1-2H3,(H,25,27)(H,26,28,29)/b20-11-
InChIKeySIHNGHGMKNMOEZ-JAIQZWGSSA-N
XLogP4.94
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-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-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione (CID 137477983) is (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione is CC(C)C(/C=C1\SC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SIHNGHGMKNMOEZ-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-12(2)16(11-20-22(28)26-23(29)30-20)15-8-9-19(25-21(15)27)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-12,16H,1-2H3,(H,25,27)(H,26,28,29)/b20-11-.
What are the key properties of (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 422.48 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 137477983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).