[4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine

C9H8FN3S — CID 21069873

IUPAC[4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(F)cc1-c1csnn1
InChIInChI=1S/C9H8FN3S/c10-7-2-1-6(4-11)8(3-7)9-5-14-13-12-9/h1-3,5H,4,11H2
InChIKeyVAPSGFNSDOJKRL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.80
Rot. Bonds2

About [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine

[4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine (PubChem CID 21069873) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine
PubChem CID21069873
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name[4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(F)cc1-c1csnn1
InChIInChI=1S/C9H8FN3S/c10-7-2-1-6(4-11)8(3-7)9-5-14-13-12-9/h1-3,5H,4,11H2
InChIKeyVAPSGFNSDOJKRL-UHFFFAOYSA-N
XLogP1.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine (CID 21069873) is [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine is NCc1ccc(F)cc1-c1csnn1.
What is the InChIKey of [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine?
The InChIKey is VAPSGFNSDOJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-7-2-1-6(4-11)8(3-7)9-5-14-13-12-9/h1-3,5H,4,11H2.
What are the key properties of [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine?
[4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine has a molecular weight of 209.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(thiadiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 21069873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).