(Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine

C11H9N3O2S — CID 122714110

IUPAC(Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
SMILESCc1ccc(/C=N\c2ncc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C11H9N3O2S/c1-8-2-4-9(5-3-8)6-12-11-13-7-10(17-11)14(15)16/h2-7H,1H3/b12-6-
InChIKeyOUXFWCHVVWVZHE-SDQBBNPISA-N
MW247.28 g/mol
LogP3.11
Rot. Bonds3

About (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine

(Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine (PubChem CID 122714110) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
PubChem CID122714110
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name(Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
SMILESCc1ccc(/C=N\c2ncc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C11H9N3O2S/c1-8-2-4-9(5-3-8)6-12-11-13-7-10(17-11)14(15)16/h2-7H,1H3/b12-6-
InChIKeyOUXFWCHVVWVZHE-SDQBBNPISA-N
XLogP3.11
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The IUPAC name of (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine (CID 122714110) is (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The canonical SMILES for (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine is Cc1ccc(/C=N\c2ncc([N+](=O)[O-])s2)cc1.
What is the InChIKey of (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The InChIKey is OUXFWCHVVWVZHE-SDQBBNPISA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-8-2-4-9(5-3-8)6-12-11-13-7-10(17-11)14(15)16/h2-7H,1H3/b12-6-.
What are the key properties of (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
(Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine has a molecular weight of 247.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 122714110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).