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

C25H19N3O2S — CID 6343438

IUPAC(5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C25H19N3O2S/c29-24-23(17-21-13-7-15-27(21)20-11-5-2-6-12-20)31-25(26-19-9-3-1-4-10-19)28(24)18-22-14-8-16-30-22/h1-17H,18H2/b23-17+,26-25-
InChIKeyQPCAXJZBLTYCSM-OBUXZSPNSA-N
MW425.51 g/mol
LogP5.87
Rot. Bonds5

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

(5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 6343438) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is (5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID6343438
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC Name(5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C25H19N3O2S/c29-24-23(17-21-13-7-15-27(21)20-11-5-2-6-12-20)31-25(26-19-9-3-1-4-10-19)28(24)18-22-14-8-16-30-22/h1-17H,18H2/b23-17+,26-25-
InChIKeyQPCAXJZBLTYCSM-OBUXZSPNSA-N
XLogP5.87
TPSA50.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.87
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)-2-(4-methoxyphenyl)imino-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 21374605
3-[2-[(Z)-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126110499
(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)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50853614
3-[2-[(Z)-[3-[(4-carboxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 98634099
4-[2-[(Z)-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
CID 126232454
5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 4646111
(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126025956
(5Z)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 126023948
2-[3-[[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid
CID 5024109
2-[3-[[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetonitrile
CID 4675388

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 6343438) is (5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one is O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1.
What is the InChIKey of (5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QPCAXJZBLTYCSM-OBUXZSPNSA-N. The full InChI is InChI=1S/C25H19N3O2S/c29-24-23(17-21-13-7-15-27(21)20-11-5-2-6-12-20)31-25(26-19-9-3-1-4-10-19)28(24)18-22-14-8-16-30-22/h1-17H,18H2/b23-17+,26-25-.
What are the key properties of (5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5E)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 425.51 g/mol, XLogP of 5.87, 5 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)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6343438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).