N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine

C17H12N8S — CID 10021421

IUPACN-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine
SMILES[N-]=[N+]=Nc1ccccc1C/N=C/c1sc(-c2ccccc2)nc1N=[N+]=[N-]
InChIInChI=1S/C17H12N8S/c18-24-22-14-9-5-4-8-13(14)10-20-11-15-16(23-25-19)21-17(26-15)12-6-2-1-3-7-12/h1-9,11H,10H2/b20-11+
InChIKeyXVLCSSRBPOOSIU-RGVLZGJSSA-N
MW360.41 g/mol
LogP6.31
Rot. Bonds6

About N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine

N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine (PubChem CID 10021421) has the molecular formula C17H12N8S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine.

Molecular Properties

Compound NameN-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine
PubChem CID10021421
Molecular FormulaC17H12N8S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine
SMILES[N-]=[N+]=Nc1ccccc1C/N=C/c1sc(-c2ccccc2)nc1N=[N+]=[N-]
InChIInChI=1S/C17H12N8S/c18-24-22-14-9-5-4-8-13(14)10-20-11-15-16(23-25-19)21-17(26-15)12-6-2-1-3-7-12/h1-9,11H,10H2/b20-11+
InChIKeyXVLCSSRBPOOSIU-RGVLZGJSSA-N
XLogP6.31
TPSA122.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-2-(2-phenylethyl)benzene
CID 10059466
2,3-diazido-5,6-diphenylpyrazine
CID 14641970
2-[(2-azidophenyl)methyl]benzotriazole
CID 45103967
2-[(2-azidophenyl)methyl]furan
CID 142763610
1-azido-2-(3-benzylsulfanylpropyl)benzene
CID 10493251
2-(2-azidophenyl)-4-phenyl-5-propyl-1,3-oxazole
CID 122373186
5-azido-3-phenyl-1H-1,2,4-triazole
CID 137205279
4-(2-azidophenyl)butylcarbamic acid
CID 121416300
4-[(2-azidophenyl)methyl]morpholine
CID 151936808
3-(2-azidophenyl)-N-ethylpropan-1-amine
CID 11790330
N-benzyl-1-(6-methyl-2-pyridinyl)methanimine
CID 71333948
2-(4-azido-3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
CID 169326471

Frequently Asked Questions

What is the IUPAC name of N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine?
The IUPAC name of N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine (CID 10021421) is N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine.
What is the SMILES notation for N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine?
The canonical SMILES for N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine is [N-]=[N+]=Nc1ccccc1C/N=C/c1sc(-c2ccccc2)nc1N=[N+]=[N-].
What is the InChIKey of N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine?
The InChIKey is XVLCSSRBPOOSIU-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H12N8S/c18-24-22-14-9-5-4-8-13(14)10-20-11-15-16(23-25-19)21-17(26-15)12-6-2-1-3-7-12/h1-9,11H,10H2/b20-11+.
What are the key properties of N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine?
N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine has a molecular weight of 360.41 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-azidophenyl)methyl]-1-(4-azido-2-phenyl-1,3-thiazol-5-yl)methanimine is sourced from PubChem (CID 10021421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).