5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one

C16H10N2O2S — CID 140682660

IUPAC5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2ccc3oc4ccccc4c3c2)S1
InChIInChI=1S/C16H10N2O2S/c17-16-18-15(19)14(21-16)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)20-13/h1-8H,(H2,17,18,19)
InChIKeyCSVSEJWBLRTSKN-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.72
Rot. Bonds1

About 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one

5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one (PubChem CID 140682660) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
PubChem CID140682660
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2ccc3oc4ccccc4c3c2)S1
InChIInChI=1S/C16H10N2O2S/c17-16-18-15(19)14(21-16)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)20-13/h1-8H,(H2,17,18,19)
InChIKeyCSVSEJWBLRTSKN-UHFFFAOYSA-N
XLogP3.72
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-(dibenzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5293778
(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 154792233
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 168510639
2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128786
2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171129571
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
(5E)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777680
(5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 173294551
5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171127606
(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154791245
(5Z)-2-imino-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 154777666

Frequently Asked Questions

What is the IUPAC name of 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one (CID 140682660) is 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(=Cc2ccc3oc4ccccc4c3c2)S1.
What is the InChIKey of 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is CSVSEJWBLRTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c17-16-18-15(19)14(21-16)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)20-13/h1-8H,(H2,17,18,19).
What are the key properties of 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one?
5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 294.34 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 140682660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).