3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

C8H10F3N3S — CID 65274435

IUPAC3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)3-4-12-7-13-6(14-15-7)5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyBWZNKJROFBNROL-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.78
Rot. Bonds4

About 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274435) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65274435
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)3-4-12-7-13-6(14-15-7)5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyBWZNKJROFBNROL-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (CID 65274435) is 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)CCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BWZNKJROFBNROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)3-4-12-7-13-6(14-15-7)5-1-2-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).