(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

C20H16F2N2O5S — CID 6198452

IUPAC(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C1=O)N1CCOCC1
InChIInChI=1S/C20H16F2N2O5S/c21-12-1-3-14(15(22)9-12)16-4-2-13(29-16)10-17-19(26)24(20(27)30-17)11-18(25)23-5-7-28-8-6-23/h1-4,9-10H,5-8,11H2/b17-10-
InChIKeyXNNFWYMWERAXBJ-YVLHZVERSA-N
MW434.42 g/mol
LogP3.12
Rot. Bonds4

About (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 6198452) has the molecular formula C20H16F2N2O5S and a molecular weight of 434.42 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
PubChem CID6198452
Molecular FormulaC20H16F2N2O5S
Molecular Weight434.42 g/mol
Exact Mass434.07
IUPAC Name(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C1=O)N1CCOCC1
InChIInChI=1S/C20H16F2N2O5S/c21-12-1-3-14(15(22)9-12)16-4-2-13(29-16)10-17-19(26)24(20(27)30-17)11-18(25)23-5-7-28-8-6-23/h1-4,9-10H,5-8,11H2/b17-10-
InChIKeyXNNFWYMWERAXBJ-YVLHZVERSA-N
XLogP3.12
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione (CID 6198452) is (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C1=O)N1CCOCC1.
What is the InChIKey of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is XNNFWYMWERAXBJ-YVLHZVERSA-N. The full InChI is InChI=1S/C20H16F2N2O5S/c21-12-1-3-14(15(22)9-12)16-4-2-13(29-16)10-17-19(26)24(20(27)30-17)11-18(25)23-5-7-28-8-6-23/h1-4,9-10H,5-8,11H2/b17-10-.
What are the key properties of (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 434.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6198452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).