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

C5H6F3N3S — CID 65274380

IUPACN-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCNc1ncns1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)1-2-9-4-10-3-11-12-4/h3H,1-2H2,(H,9,10,11)
InChIKeyNZEDGZMYGCKTOM-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.90
Rot. Bonds3

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

N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274380) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65274380
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC NameN-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCNc1ncns1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)1-2-9-4-10-3-11-12-4/h3H,1-2H2,(H,9,10,11)
InChIKeyNZEDGZMYGCKTOM-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine (CID 65274380) is N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)CCNc1ncns1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NZEDGZMYGCKTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c6-5(7,8)1-2-9-4-10-3-11-12-4/h3H,1-2H2,(H,9,10,11).
What are the key properties of N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine?
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.18 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).