2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C15H12N2O3S — CID 173014269

IUPAC2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(-c3cccc(OC)c3)o2)S1
InChIInChI=1S/C15H12N2O3S/c1-19-10-4-2-3-9(7-10)12-6-5-11(20-12)8-13-14(18)17-15(16)21-13/h2-8H,1H3,(H2,16,17,18)
InChIKeyQEBKBHKPINJXNI-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.09
Rot. Bonds3

About 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 173014269) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID173014269
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(-c3cccc(OC)c3)o2)S1
InChIInChI=1S/C15H12N2O3S/c1-19-10-4-2-3-9(7-10)12-6-5-11(20-12)8-13-14(18)17-15(16)21-13/h2-8H,1H3,(H2,16,17,18)
InChIKeyQEBKBHKPINJXNI-UHFFFAOYSA-N
XLogP3.09
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
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

2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
(5Z)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154778143
2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 155899188
4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide
CID 137349058
5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171128372
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
(5Z)-5-[[5-(3-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277476
(5Z)-5-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138376614
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 136689285
2-imino-5-[[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128907
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1369930
(5E)-2-(2-methoxyphenyl)imino-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135844528

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 173014269) is 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2ccc(-c3cccc(OC)c3)o2)S1.
What is the InChIKey of 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QEBKBHKPINJXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-19-10-4-2-3-9(7-10)12-6-5-11(20-12)8-13-14(18)17-15(16)21-13/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 300.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 173014269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).