2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline

C9H8FN3S2 — CID 60875801

IUPAC2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
SMILESCc1nnc(Sc2cccc(F)c2N)s1
InChIInChI=1S/C9H8FN3S2/c1-5-12-13-9(14-5)15-7-4-2-3-6(10)8(7)11/h2-4H,11H2,1H3
InChIKeyNWJFDMDJZLUVKU-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.72
Rot. Bonds2

About 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline

2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline (PubChem CID 60875801) has the molecular formula C9H8FN3S2 and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
PubChem CID60875801
Molecular FormulaC9H8FN3S2
Molecular Weight241.32 g/mol
Exact Mass241.01
IUPAC Name2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
SMILESCc1nnc(Sc2cccc(F)c2N)s1
InChIInChI=1S/C9H8FN3S2/c1-5-12-13-9(14-5)15-7-4-2-3-6(10)8(7)11/h2-4H,11H2,1H3
InChIKeyNWJFDMDJZLUVKU-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluoro-2-nitrophenyl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 17404321
5-Fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 28412394
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
CID 55021329
2-(3-Fluoro-2-nitrophenyl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 55100944
2-Fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 60789217
3-Fluoro-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 60876179
5-Fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 60876180
3-Fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 60876932
3,5-Difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 61015532
2-Fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
CID 62254529
4-Fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 62376654
4-Fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 62377156

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline (CID 60875801) is 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline is Cc1nnc(Sc2cccc(F)c2N)s1.
What is the InChIKey of 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The InChIKey is NWJFDMDJZLUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S2/c1-5-12-13-9(14-5)15-7-4-2-3-6(10)8(7)11/h2-4H,11H2,1H3.
What are the key properties of 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline has a molecular weight of 241.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 60875801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).