(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C19H16N2O5S — CID 98392873

IUPAC(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O5S/c1-11(2)13-6-5-12(8-14(13)21(24)25)9-17-19(23)20-18(27-17)10-15(22)16-4-3-7-26-16/h3-11H,1-2H3,(H,20,23)/b17-9+,18-10-
InChIKeyTZCLTLPIBMKKMZ-XXGRXQMWSA-N
MW384.41 g/mol
LogP2.55
Rot. Bonds5

About (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 98392873) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID98392873
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O5S/c1-11(2)13-6-5-12(8-14(13)21(24)25)9-17-19(23)20-18(27-17)10-15(22)16-4-3-7-26-16/h3-11H,1-2H3,(H,20,23)/b17-9+,18-10-
InChIKeyTZCLTLPIBMKKMZ-XXGRXQMWSA-N
XLogP2.55
TPSA106.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 98392873) is (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is CC(C)c1ccc(/C=c2/s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc1[N+](=O)[O-].
What is the InChIKey of (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is TZCLTLPIBMKKMZ-XXGRXQMWSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-11(2)13-6-5-12(8-14(13)21(24)25)9-17-19(23)20-18(27-17)10-15(22)16-4-3-7-26-16/h3-11H,1-2H3,(H,20,23)/b17-9+,18-10-.
What are the key properties of (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 384.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 98392873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).