3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

C8H7F3N6S2 — CID 133443669

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESNn1c(Sc2nc(C3CC3)ns2)nnc1C(F)(F)F
InChIInChI=1S/C8H7F3N6S2/c9-8(10,11)5-14-15-6(17(5)12)18-7-13-4(16-19-7)3-1-2-3/h3H,1-2,12H2
InChIKeyWWDILZYTCXAKOQ-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.89
Rot. Bonds3

About 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine (PubChem CID 133443669) has the molecular formula C8H7F3N6S2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
PubChem CID133443669
Molecular FormulaC8H7F3N6S2
Molecular Weight308.31 g/mol
Exact Mass308.01
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESNn1c(Sc2nc(C3CC3)ns2)nnc1C(F)(F)F
InChIInChI=1S/C8H7F3N6S2/c9-8(10,11)5-14-15-6(17(5)12)18-7-13-4(16-19-7)3-1-2-3/h3H,1-2,12H2
InChIKeyWWDILZYTCXAKOQ-UHFFFAOYSA-N
XLogP1.89
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine (CID 133443669) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine is Nn1c(Sc2nc(C3CC3)ns2)nnc1C(F)(F)F.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The InChIKey is WWDILZYTCXAKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N6S2/c9-8(10,11)5-14-15-6(17(5)12)18-7-13-4(16-19-7)3-1-2-3/h3H,1-2,12H2.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine has a molecular weight of 308.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 133443669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).