(5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione

C15H10INO3S — CID 124668192

IUPAC(5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc(I)cc1
InChIInChI=1S/C15H10INO3S/c16-11-5-3-10(4-6-11)9-17-14(18)13(21-15(17)19)8-12-2-1-7-20-12/h1-8H,9H2/b13-8+
InChIKeyPAJAYVFVWQHSHR-MDWZMJQESA-N
MW411.22 g/mol
LogP4.12
Rot. Bonds3

About (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione

(5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 124668192) has the molecular formula C15H10INO3S and a molecular weight of 411.22 g/mol. Its IUPAC name is (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID124668192
Molecular FormulaC15H10INO3S
Molecular Weight411.22 g/mol
Exact Mass410.94
IUPAC Name(5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc(I)cc1
InChIInChI=1S/C15H10INO3S/c16-11-5-3-10(4-6-11)9-17-14(18)13(21-15(17)19)8-12-2-1-7-20-12/h1-8H,9H2/b13-8+
InChIKeyPAJAYVFVWQHSHR-MDWZMJQESA-N
XLogP4.12
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.22
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1337964
(5E)-3-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1231285
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
3-benzyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268875
(5Z)-5-benzylidene-3-[2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 2331027
(5E)-5-[(4-chlorophenyl)methylidene]-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124668114
(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 6182404
4-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
CID 5088414
7-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]heptanoic acid
CID 175559743
(5E)-3-[(4-iodophenyl)methyl]-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124668080
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124668066
(5E)-5-[[2-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124642276

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 124668192) is (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccc(I)cc1.
What is the InChIKey of (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PAJAYVFVWQHSHR-MDWZMJQESA-N. The full InChI is InChI=1S/C15H10INO3S/c16-11-5-3-10(4-6-11)9-17-14(18)13(21-15(17)19)8-12-2-1-7-20-12/h1-8H,9H2/b13-8+.
What are the key properties of (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 411.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(furan-2-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 124668192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).