5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione

C8H6FN3S2 — CID 707038

IUPAC5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione
SMILESFc1ccccc1Nc1n[nH]c(=S)s1
InChIInChI=1S/C8H6FN3S2/c9-5-3-1-2-4-6(5)10-7-11-12-8(13)14-7/h1-4H,(H,10,11)(H,12,13)
InChIKeyYLDUFJAYNMXNSY-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.08
Rot. Bonds2

About 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione

5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 707038) has the molecular formula C8H6FN3S2 and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione
PubChem CID707038
Molecular FormulaC8H6FN3S2
Molecular Weight227.29 g/mol
Exact Mass227.00
IUPAC Name5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione
SMILESFc1ccccc1Nc1n[nH]c(=S)s1
InChIInChI=1S/C8H6FN3S2/c9-5-3-1-2-4-6(5)10-7-11-12-8(13)14-7/h1-4H,(H,10,11)(H,12,13)
InChIKeyYLDUFJAYNMXNSY-UHFFFAOYSA-N
XLogP3.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3,4-Thiadiazole-2(3H)-thione, 5-anilino-
CID 707055
Mls002920655
CID 1268736
5-(4-Chloroanilino)-1,3,4-thiadiazole-2(3H)-thione
CID 2730993
4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
CID 3863985
5-[(3-Chlorophenyl)amino]-1,3,4-thiadiazole-2-thiol
CID 4962085
5-((4-Methylphenyl)amino)-1,3,4-thiadiazole-2(3H)-thione
CID 707007
5-[(2-Chlorophenyl)amino]-1,3,4-thiadiazole-2-thiol
CID 696247
5-[4-(trifluoromethyl)anilino]-3H-1,3,4-thiadiazole-2-thione
CID 2731552
1-Phenyl-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 10658473
3-[[Bis(prop-2-enyl)amino]methyl]-5-(2-fluoroanilino)-1,3,4-thiadiazole-2-thione
CID 2480332
5-(3-fluoro-4-methylanilino)-3H-1,3,4-thiadiazole-2-thione
CID 4987333
5-[(4-Fluorophenyl)amino]-1,3,4-thiadiazole-2-thiol
CID 2818752

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione (CID 707038) is 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione is Fc1ccccc1Nc1n[nH]c(=S)s1.
What is the InChIKey of 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is YLDUFJAYNMXNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S2/c9-5-3-1-2-4-6(5)10-7-11-12-8(13)14-7/h1-4H,(H,10,11)(H,12,13).
What are the key properties of 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione?
5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 227.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 707038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).