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

C8H10F3N3S — CID 79964616

IUPACN-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCc1nsc(NC2CC2)n1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)4-3-6-13-7(15-14-6)12-5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyHKVNKCFDSSCBMV-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.61
Rot. Bonds4

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

N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 79964616) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID79964616
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCc1nsc(NC2CC2)n1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)4-3-6-13-7(15-14-6)12-5-1-2-5/h5H,1-4H2,(H,12,13,14)
InChIKeyHKVNKCFDSSCBMV-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (CID 79964616) is N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)CCc1nsc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HKVNKCFDSSCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)4-3-6-13-7(15-14-6)12-5-1-2-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79964616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).