3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine

C9H8FN3S2 — CID 66070387

IUPAC3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CSc2cccc(F)c2)ns1
InChIInChI=1S/C9H8FN3S2/c10-6-2-1-3-7(4-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKeyCIIWZRJQONJBEC-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.55
Rot. Bonds3

About 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine

3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 66070387) has the molecular formula C9H8FN3S2 and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
PubChem CID66070387
Molecular FormulaC9H8FN3S2
Molecular Weight241.32 g/mol
Exact Mass241.01
IUPAC Name3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CSc2cccc(F)c2)ns1
InChIInChI=1S/C9H8FN3S2/c10-6-2-1-3-7(4-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKeyCIIWZRJQONJBEC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine (CID 66070387) is 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is Nc1nc(CSc2cccc(F)c2)ns1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CIIWZRJQONJBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S2/c10-6-2-1-3-7(4-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2,(H2,11,12,13).
What are the key properties of 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine?
3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 241.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66070387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).