N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H13F3N4S — CID 107305349

IUPACN-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCC2CCNC2)n1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-4-2-6-1-3-13-5-6/h6,13H,1-5H2,(H,14,15,16)
InChIKeyMLEPJQVKMUUVPX-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.97
Rot. Bonds4

About N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305349) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305349
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCC2CCNC2)n1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-4-2-6-1-3-13-5-6/h6,13H,1-5H2,(H,14,15,16)
InChIKeyMLEPJQVKMUUVPX-UHFFFAOYSA-N
XLogP1.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305349) is N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCC2CCNC2)n1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MLEPJQVKMUUVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-4-2-6-1-3-13-5-6/h6,13H,1-5H2,(H,14,15,16).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).