(5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C21H15N3O3S — CID 155086829

IUPAC(5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=Nc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C21H15N3O3S/c25-20-19(13-15-8-10-17(23-26)11-9-15)28-21(22-16-5-2-1-3-6-16)24(20)14-18-7-4-12-27-18/h1-13H,14H2/b19-13-,22-21-
InChIKeyWQTNFGSCPZWMHP-DPBNUBQISA-N
MW389.44 g/mol
LogP5.48
Rot. Bonds5

About (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 155086829) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID155086829
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC Name(5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=Nc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C21H15N3O3S/c25-20-19(13-15-8-10-17(23-26)11-9-15)28-21(22-16-5-2-1-3-6-16)24(20)14-18-7-4-12-27-18/h1-13H,14H2/b19-13-,22-21-
InChIKeyWQTNFGSCPZWMHP-DPBNUBQISA-N
XLogP5.48
TPSA75.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5035491
(5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50853614
(5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 6343438
methyl 2-[4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 23097650
(2Z,5Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16627852
(2Z,5Z)-3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135732315
(2Z,5Z)-5-[(4-chlorophenyl)methylidene]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 16627796
(2Z,5Z)-3-(furan-2-ylmethyl)-2-[(E)-(2-methylphenyl)methylidenehydrazinylidene]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16628372
(2Z,5Z)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 16627475
2-[3-[[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid
CID 5024109
(2E,5Z)-5-benzylidene-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246108
(2E,5Z)-3-(furan-2-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-[(Z)-(4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 19246684

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 155086829) is (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=Nc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is WQTNFGSCPZWMHP-DPBNUBQISA-N. The full InChI is InChI=1S/C21H15N3O3S/c25-20-19(13-15-8-10-17(23-26)11-9-15)28-21(22-16-5-2-1-3-6-16)24(20)14-18-7-4-12-27-18/h1-13H,14H2/b19-13-,22-21-.
What are the key properties of (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 389.44 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 155086829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).