3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one

C8H7N3O3S2 — CID 167201293

IUPAC3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1/N=C\c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H7N3O3S2/c12-7-4-15-5-10(7)9-3-6-1-2-8(16-6)11(13)14/h1-3H,4-5H2/b9-3-
InChIKeyQRIARNYOMYPKPM-OQFOIZHKSA-N
MW257.30 g/mol
LogP1.52
Rot. Bonds3

About 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one

3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one (PubChem CID 167201293) has the molecular formula C8H7N3O3S2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one
PubChem CID167201293
Molecular FormulaC8H7N3O3S2
Molecular Weight257.30 g/mol
Exact Mass256.99
IUPAC Name3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1/N=C\c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H7N3O3S2/c12-7-4-15-5-10(7)9-3-6-1-2-8(16-6)11(13)14/h1-3H,4-5H2/b9-3-
InChIKeyQRIARNYOMYPKPM-OQFOIZHKSA-N
XLogP1.52
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one (CID 167201293) is 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one is O=C1CSCN1/N=C\c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one?
The InChIKey is QRIARNYOMYPKPM-OQFOIZHKSA-N. The full InChI is InChI=1S/C8H7N3O3S2/c12-7-4-15-5-10(7)9-3-6-1-2-8(16-6)11(13)14/h1-3H,4-5H2/b9-3-.
What are the key properties of 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one?
3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one has a molecular weight of 257.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 167201293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).