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

C20H13NO3S — CID 87197083

IUPAC(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(-c3ccc(-c4ccccc4)cc3)o2)S1
InChIInChI=1S/C20H13NO3S/c22-19-18(25-20(23)21-19)12-16-10-11-17(24-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,22,23)/b18-12+
InChIKeyDDILZGFFJHOOBD-LDADJPATSA-N
MW347.40 g/mol
LogP4.94
Rot. Bonds3

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

(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87197083) has the molecular formula C20H13NO3S and a molecular weight of 347.40 g/mol. Its IUPAC name is (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87197083
Molecular FormulaC20H13NO3S
Molecular Weight347.40 g/mol
Exact Mass347.06
IUPAC Name(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(-c3ccc(-c4ccccc4)cc3)o2)S1
InChIInChI=1S/C20H13NO3S/c22-19-18(25-20(23)21-19)12-16-10-11-17(24-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,22,23)/b18-12+
InChIKeyDDILZGFFJHOOBD-LDADJPATSA-N
XLogP4.94
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86222599
4-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2844127
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1380155
(5Z)-5-[[5-(3-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277476
N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 91171756
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium
CID 59987928
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1225147
(5Z)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1275695
N-[3-[5-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]phenyl]acetamide
CID 87985619
ethyl 4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
CID 6283210
(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11580302

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 87197083) is (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(-c3ccc(-c4ccccc4)cc3)o2)S1.
What is the InChIKey of (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DDILZGFFJHOOBD-LDADJPATSA-N. The full InChI is InChI=1S/C20H13NO3S/c22-19-18(25-20(23)21-19)12-16-10-11-17(24-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,22,23)/b18-12+.
What are the key properties of (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 347.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87197083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).