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4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline

C9H8FN3S — CID 174509471

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
SMILESCNc1ccc(F)cc1-c1csnn1
InChIInChI=1S/C9H8FN3S/c1-11-8-3-2-6(10)4-7(8)9-5-14-13-12-9/h2-5,11H,1H3
InChIKeyHUHILIQTRDTHTR-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.39
Rot. Bonds2

About 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline

4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline (PubChem CID 174509471) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
PubChem CID174509471
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
SMILESCNc1ccc(F)cc1-c1csnn1
InChIInChI=1S/C9H8FN3S/c1-11-8-3-2-6(10)4-7(8)9-5-14-13-12-9/h2-5,11H,1H3
InChIKeyHUHILIQTRDTHTR-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline?
The IUPAC name of 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline (CID 174509471) is 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline is CNc1ccc(F)cc1-c1csnn1.
What is the InChIKey of 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline?
The InChIKey is HUHILIQTRDTHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c1-11-8-3-2-6(10)4-7(8)9-5-14-13-12-9/h2-5,11H,1H3.
What are the key properties of 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline?
4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline has a molecular weight of 209.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline is sourced from PubChem (CID 174509471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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