(5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C20H17N3O2S — CID 50853614

IUPAC(5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCn1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1
InChIInChI=1S/C20H17N3O2S/c1-22-10-9-15(13-22)12-18-19(24)23(14-17-8-5-11-25-17)20(26-18)21-16-6-3-2-4-7-16/h2-13H,14H2,1H3/b18-12+,21-20-
InChIKeyXXDMTKIKLJJWKL-KDWIEBRMSA-N
MW363.44 g/mol
LogP4.42
Rot. Bonds4

About (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 50853614) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID50853614
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name(5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCn1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1
InChIInChI=1S/C20H17N3O2S/c1-22-10-9-15(13-22)12-18-19(24)23(14-17-8-5-11-25-17)20(26-18)21-16-6-3-2-4-7-16/h2-13H,14H2,1H3/b18-12+,21-20-
InChIKeyXXDMTKIKLJJWKL-KDWIEBRMSA-N
XLogP4.42
TPSA50.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(5Z)-3-(furan-2-ylmethyl)-5-[(4-nitrosophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 155086829
3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5035491
(5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 6343438
(5E)-3-(2-ethoxyethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50853547
2-[3-[[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid
CID 5024109
methyl 2-[4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 23097650
2-[3-[[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetonitrile
CID 4675388
methyl 5-[[3-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126397830
(5Z)-3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 21374605
(2R)-2-[4-[(Z)-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126022397
(5E)-3-ethyl-2-ethylimino-5-[(1-methylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 50853514
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 50862019

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 50853614) is (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is Cn1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1.
What is the InChIKey of (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is XXDMTKIKLJJWKL-KDWIEBRMSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-22-10-9-15(13-22)12-18-19(24)23(14-17-8-5-11-25-17)20(26-18)21-16-6-3-2-4-7-16/h2-13H,14H2,1H3/b18-12+,21-20-.
What are the key properties of (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 363.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(furan-2-ylmethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 50853614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).