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

C9H8FN3S2 — CID 723666

IUPAC5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3S2/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)
InChIKeyOPAKWVMMTCNRJQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.55
Rot. Bonds3

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

5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 723666) has the molecular formula C9H8FN3S2 and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID723666
Molecular FormulaC9H8FN3S2
Molecular Weight241.32 g/mol
Exact Mass241.01
IUPAC Name5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3S2/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)
InChIKeyOPAKWVMMTCNRJQ-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 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 723666) is 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OPAKWVMMTCNRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S2/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12).
What are the key properties of 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-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 5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 723666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).