(E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine

C8H5N3O2S2 — CID 11601149

IUPAC(E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2nccs2)s1
InChIInChI=1S/C8H5N3O2S2/c12-11(13)7-2-1-6(15-7)5-10-8-9-3-4-14-8/h1-5H/b10-5+
InChIKeyYVHLHCNVGZOPTC-BJMVGYQFSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds3

About (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine

(E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine (PubChem CID 11601149) has the molecular formula C8H5N3O2S2 and a molecular weight of 239.28 g/mol. Its IUPAC name is (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine
PubChem CID11601149
Molecular FormulaC8H5N3O2S2
Molecular Weight239.28 g/mol
Exact Mass238.98
IUPAC Name(E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2nccs2)s1
InChIInChI=1S/C8H5N3O2S2/c12-11(13)7-2-1-6(15-7)5-10-8-9-3-4-14-8/h1-5H/b10-5+
InChIKeyYVHLHCNVGZOPTC-BJMVGYQFSA-N
XLogP2.86
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
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'}

Analyze (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The IUPAC name of (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine (CID 11601149) is (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The canonical SMILES for (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine is O=[N+]([O-])c1ccc(/C=N/c2nccs2)s1.
What is the InChIKey of (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
The InChIKey is YVHLHCNVGZOPTC-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H5N3O2S2/c12-11(13)7-2-1-6(15-7)5-10-8-9-3-4-14-8/h1-5H/b10-5+.
What are the key properties of (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine?
(E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-nitrothiophen-2-yl)-N-(1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 11601149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).