1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine

C15H10N4O2S — CID 2739290

IUPAC1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(-c3csnn3)cc2)cc1
InChIInChI=1S/C15H10N4O2S/c20-19(21)14-7-1-11(2-8-14)9-16-13-5-3-12(4-6-13)15-10-22-18-17-15/h1-10H/b16-9+
InChIKeyPBVHHOGDWWXELF-CXUHLZMHSA-N
MW310.34 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine

1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine (PubChem CID 2739290) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine
PubChem CID2739290
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(-c3csnn3)cc2)cc1
InChIInChI=1S/C15H10N4O2S/c20-19(21)14-7-1-11(2-8-14)9-16-13-5-3-12(4-6-13)15-10-22-18-17-15/h1-10H/b16-9+
InChIKeyPBVHHOGDWWXELF-CXUHLZMHSA-N
XLogP3.86
TPSA81.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.86
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'}

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Related Compounds

4-(4-Nitrophenyl)-1,2,3-thiadiazole
CID 560748
1-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]methanimine
CID 2739291
4-(2-Nitrophenyl)-1,2,3-thiadiazole
CID 12031008
4-[(E)-2-(4-nitrophenyl)vinyl]thiadiazole
CID 5388286
4-(3-Nitrophenyl)-1,2,3-thiadiazole
CID 12894403
4,5-Bis-(4-nitrophenyl)-1,2,3-thiadiazole
CID 13427187
N-hydroxy-N'-[4-(thiadiazol-4-yl)phenyl]methanimidamide
CID 135855082
4-[2-(4-Nitrophenyl)ethenyl]thiadiazole
CID 366184
2-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 3687202
5-Methyl-4-(4-nitrophenyl)thiadiazole
CID 15169173
N-oxido-N-[4-[(E)-2-(thiadiazol-4-yl)ethenyl]phenyl]hydroxylamine
CID 20831329
5-(Azidomethyl)-4-(4-nitrophenyl)thiadiazole
CID 21603370

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine?
The IUPAC name of 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine (CID 2739290) is 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine is O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3csnn3)cc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine?
The InChIKey is PBVHHOGDWWXELF-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H10N4O2S/c20-19(21)14-7-1-11(2-8-14)9-16-13-5-3-12(4-6-13)15-10-22-18-17-15/h1-10H/b16-9+.
What are the key properties of 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine?
1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine has a molecular weight of 310.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine is sourced from PubChem (CID 2739290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).