2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline

C9H6F2N4O2S — CID 43725199

IUPAC2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(NCc2csnn2)c(F)cc1F
InChIInChI=1S/C9H6F2N4O2S/c10-6-1-7(11)9(15(16)17)2-8(6)12-3-5-4-18-14-13-5/h1-2,4,12H,3H2
InChIKeyILNSCHIEOFBFES-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.34
Rot. Bonds4

About 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline

2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43725199) has the molecular formula C9H6F2N4O2S and a molecular weight of 272.24 g/mol. Its IUPAC name is 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43725199
Molecular FormulaC9H6F2N4O2S
Molecular Weight272.24 g/mol
Exact Mass272.02
IUPAC Name2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(NCc2csnn2)c(F)cc1F
InChIInChI=1S/C9H6F2N4O2S/c10-6-1-7(11)9(15(16)17)2-8(6)12-3-5-4-18-14-13-5/h1-2,4,12H,3H2
InChIKeyILNSCHIEOFBFES-UHFFFAOYSA-N
XLogP2.34
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-3-nitro-N-(thiadiazol-4-ylmethyl)aniline
CID 43719364
N-benzyl-2,4-difluoro-5-nitroaniline
CID 43725145
4-[(2,4-difluoro-5-nitroanilino)methyl]benzene-1,2-diol
CID 43725126
N-[(2,4-difluorophenyl)methyl]-2,4-difluoro-5-nitroaniline
CID 43725093
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,4-difluoro-5-nitroaniline
CID 102833199
2,4-difluoro-5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43725070
N-[(2-ethylpyrazol-3-yl)methyl]-2,4-difluoro-5-nitroaniline
CID 114555274
N'-tert-butyl-N-(2,4-difluoro-5-nitrophenyl)ethane-1,2-diamine
CID 107445129
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664102
2-[(2,4-difluoro-5-nitroanilino)methyl]-6-methylphenol
CID 115951355
2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663808

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline (CID 43725199) is 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline is O=[N+]([O-])c1cc(NCc2csnn2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is ILNSCHIEOFBFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4O2S/c10-6-1-7(11)9(15(16)17)2-8(6)12-3-5-4-18-14-13-5/h1-2,4,12H,3H2.
What are the key properties of 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline?
2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 272.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-nitro-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43725199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).