[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine

C9H8FN3S2 — CID 63672826

IUPAC[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1Sc1nncs1
InChIInChI=1S/C9H8FN3S2/c10-7-1-2-8(6(3-7)4-11)15-9-13-12-5-14-9/h1-3,5H,4,11H2
InChIKeyTVHGQQOSXDMNFT-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.29
Rot. Bonds3

About [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine

[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine (PubChem CID 63672826) has the molecular formula C9H8FN3S2 and a molecular weight of 241.32 g/mol. Its IUPAC name is [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
PubChem CID63672826
Molecular FormulaC9H8FN3S2
Molecular Weight241.32 g/mol
Exact Mass241.01
IUPAC Name[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
SMILESNCc1cc(F)ccc1Sc1nncs1
InChIInChI=1S/C9H8FN3S2/c10-7-1-2-8(6(3-7)4-11)15-9-13-12-5-14-9/h1-3,5H,4,11H2
InChIKeyTVHGQQOSXDMNFT-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 28418093
(1S)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 28418095
(1R)-1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 28418097
(1S)-1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 28418099
(1R)-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 28418105
(1S)-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 28418107
1-[3-Fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189361
1-[5-Fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189362
1-[2-Fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189364
N-[1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethyl]propan-1-amine
CID 43286418
N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43286419
1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 43286420

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine (CID 63672826) is [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine is NCc1cc(F)ccc1Sc1nncs1.
What is the InChIKey of [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine?
The InChIKey is TVHGQQOSXDMNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S2/c10-7-1-2-8(6(3-7)4-11)15-9-13-12-5-14-9/h1-3,5H,4,11H2.
What are the key properties of [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine?
[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine has a molecular weight of 241.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 63672826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).