N-fluoro-2,1,3-benzothiadiazol-5-amine

C6H4FN3S — CID 175865678

IUPACN-fluoro-2,1,3-benzothiadiazol-5-amine
SMILESFNc1ccc2nsnc2c1
InChIInChI=1S/C6H4FN3S/c7-8-4-1-2-5-6(3-4)10-11-9-5/h1-3,8H
InChIKeyXBDPNJZTYARPRM-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.99
Rot. Bonds1

About N-fluoro-2,1,3-benzothiadiazol-5-amine

N-fluoro-2,1,3-benzothiadiazol-5-amine (PubChem CID 175865678) has the molecular formula C6H4FN3S and a molecular weight of 169.18 g/mol. Its IUPAC name is N-fluoro-2,1,3-benzothiadiazol-5-amine.

Molecular Properties

Compound NameN-fluoro-2,1,3-benzothiadiazol-5-amine
PubChem CID175865678
Molecular FormulaC6H4FN3S
Molecular Weight169.18 g/mol
Exact Mass169.01
IUPAC NameN-fluoro-2,1,3-benzothiadiazol-5-amine
SMILESFNc1ccc2nsnc2c1
InChIInChI=1S/C6H4FN3S/c7-8-4-1-2-5-6(3-4)10-11-9-5/h1-3,8H
InChIKeyXBDPNJZTYARPRM-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-2,1,3-benzothiadiazol-5-amine?
The IUPAC name of N-fluoro-2,1,3-benzothiadiazol-5-amine (CID 175865678) is N-fluoro-2,1,3-benzothiadiazol-5-amine.
What is the SMILES notation for N-fluoro-2,1,3-benzothiadiazol-5-amine?
The canonical SMILES for N-fluoro-2,1,3-benzothiadiazol-5-amine is FNc1ccc2nsnc2c1.
What is the InChIKey of N-fluoro-2,1,3-benzothiadiazol-5-amine?
The InChIKey is XBDPNJZTYARPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3S/c7-8-4-1-2-5-6(3-4)10-11-9-5/h1-3,8H.
What are the key properties of N-fluoro-2,1,3-benzothiadiazol-5-amine?
N-fluoro-2,1,3-benzothiadiazol-5-amine has a molecular weight of 169.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2,1,3-benzothiadiazol-5-amine is sourced from PubChem (CID 175865678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).