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

C15H11NO4S — CID 11580302

IUPAC(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1-c1ccc(/C=C2\SC(=O)NC2=O)o1
InChIInChI=1S/C15H11NO4S/c1-19-11-5-3-2-4-10(11)12-7-6-9(20-12)8-13-14(17)16-15(18)21-13/h2-8H,1H3,(H,16,17,18)/b13-8-
InChIKeyKSBRXTQOZDUEGL-JYRVWZFOSA-N
MW301.32 g/mol
LogP3.28
Rot. Bonds3

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

(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11580302) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11580302
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1-c1ccc(/C=C2\SC(=O)NC2=O)o1
InChIInChI=1S/C15H11NO4S/c1-19-11-5-3-2-4-10(11)12-7-6-9(20-12)8-13-14(17)16-15(18)21-13/h2-8H,1H3,(H,16,17,18)/b13-8-
InChIKeyKSBRXTQOZDUEGL-JYRVWZFOSA-N
XLogP3.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
(5Z)-2-(2-methoxyphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782305
5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2872145
(5Z)-5-[[5-(3-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277476
5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86222599
3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one
CID 919291
(5E)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135844672
4-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-3-methylbenzoic acid
CID 73369958
5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 4665185
(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 916385
5-[[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135534224

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 11580302) is (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccccc1-c1ccc(/C=C2\SC(=O)NC2=O)o1.
What is the InChIKey of (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is KSBRXTQOZDUEGL-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H11NO4S/c1-19-11-5-3-2-4-10(11)12-7-6-9(20-12)8-13-14(17)16-15(18)21-13/h2-8H,1H3,(H,16,17,18)/b13-8-.
What are the key properties of (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 301.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11580302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).