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

C10H8F3N3S2 — CID 7760384

IUPAC5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C10H8F3N3S2/c11-10(12,13)7-4-2-1-3-6(7)5-17-9-16-15-8(14)18-9/h1-4H,5H2,(H2,14,15)
InChIKeyOWZYJCQFNKHQRK-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.43
Rot. Bonds3

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

5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 7760384) has the molecular formula C10H8F3N3S2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID7760384
Molecular FormulaC10H8F3N3S2
Molecular Weight291.32 g/mol
Exact Mass291.01
IUPAC Name5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C10H8F3N3S2/c11-10(12,13)7-4-2-1-3-6(7)5-17-9-16-15-8(14)18-9/h1-4H,5H2,(H2,14,15)
InChIKeyOWZYJCQFNKHQRK-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 7760384) is 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2ccccc2C(F)(F)F)s1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OWZYJCQFNKHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S2/c11-10(12,13)7-4-2-1-3-6(7)5-17-9-16-15-8(14)18-9/h1-4H,5H2,(H2,14,15).
What are the key properties of 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 291.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7760384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).