(5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one

C9H7N3O4S — CID 135789836

IUPAC(5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1\NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1
InChIInChI=1S/C9H7N3O4S/c1-10-9-11-8(13)6(17-9)4-5-2-3-7(16-5)12(14)15/h2-4H,1H3,(H,10,11,13)/b6-4-
InChIKeyDPAIMFMWWPGMIF-XQRVVYSFSA-N
MW253.24 g/mol
LogP1.38
Rot. Bonds2

About (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135789836) has the molecular formula C9H7N3O4S and a molecular weight of 253.24 g/mol. Its IUPAC name is (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135789836
Molecular FormulaC9H7N3O4S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC Name(5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1\NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1
InChIInChI=1S/C9H7N3O4S/c1-10-9-11-8(13)6(17-9)4-5-2-3-7(16-5)12(14)15/h2-4H,1H3,(H,10,11,13)/b6-4-
InChIKeyDPAIMFMWWPGMIF-XQRVVYSFSA-N
XLogP1.38
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1381456
(5Z)-2-(2-fluorophenyl)imino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137162488
(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165858
(5Z)-2-(2-hydroxyethylimino)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 137166239
(5Z)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165806
N-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]formamide
CID 140752039
N-[(5Z)-3-methyl-5-[(5-nitrofuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 23275509
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135699268
(5Z)-3-ethyl-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23274908
(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 23275202
2-(4-methylphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487186
(5Z)-2-(3,5-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135592688

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 135789836) is (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one is C/N=C1\NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1.
What is the InChIKey of (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DPAIMFMWWPGMIF-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H7N3O4S/c1-10-9-11-8(13)6(17-9)4-5-2-3-7(16-5)12(14)15/h2-4H,1H3,(H,10,11,13)/b6-4-.
What are the key properties of (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 253.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methylimino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135789836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).