(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium

C14H8NO3SY- — CID 59987928

IUPAC(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3c[c-]ccc3)o2)S1.[Y]
InChIInChI=1S/C14H8NO3S.Y/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9;/h1-2,4-8H,(H,15,16,17);/q-1;/b12-8-;
InChIKeyGIBCGTYXVZTULE-JCTPKUEWSA-N
MW359.20 g/mol
LogP3.07
Rot. Bonds2

About (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium

(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium (PubChem CID 59987928) has the molecular formula C14H8NO3SY- and a molecular weight of 359.20 g/mol. Its IUPAC name is (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium.

Molecular Properties

Compound Name(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium
PubChem CID59987928
Molecular FormulaC14H8NO3SY-
Molecular Weight359.20 g/mol
Exact Mass358.93
IUPAC Name(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3c[c-]ccc3)o2)S1.[Y]
InChIInChI=1S/C14H8NO3S.Y/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9;/h1-2,4-8H,(H,15,16,17);/q-1;/b12-8-;
InChIKeyGIBCGTYXVZTULE-JCTPKUEWSA-N
XLogP3.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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
5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
(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
N-[3-[5-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]phenyl]acetamide
CID 87985619
4-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2844127
(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
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1380155
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6529363
N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 91171756
(5E)-5-[(5-bromofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18773922

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium?
The IUPAC name of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium (CID 59987928) is (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium.
What is the SMILES notation for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium?
The canonical SMILES for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium is O=C1NC(=O)/C(=C/c2ccc(-c3c[c-]ccc3)o2)S1.[Y].
What is the InChIKey of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium?
The InChIKey is GIBCGTYXVZTULE-JCTPKUEWSA-N. The full InChI is InChI=1S/C14H8NO3S.Y/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9;/h1-2,4-8H,(H,15,16,17);/q-1;/b12-8-;.
What are the key properties of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium?
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium has a molecular weight of 359.20 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium is sourced from PubChem (CID 59987928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).