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

C10H15F3N4S — CID 107305066

IUPACN-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CNc1nc(C(F)(F)F)ns1)N1CCCC1
InChIInChI=1S/C10H15F3N4S/c1-7(17-4-2-3-5-17)6-14-9-15-8(16-18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyIHBPOKRMMDFMGE-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.45
Rot. Bonds4

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

N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305066) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305066
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CNc1nc(C(F)(F)F)ns1)N1CCCC1
InChIInChI=1S/C10H15F3N4S/c1-7(17-4-2-3-5-17)6-14-9-15-8(16-18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyIHBPOKRMMDFMGE-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305066) is N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(CNc1nc(C(F)(F)F)ns1)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IHBPOKRMMDFMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-7(17-4-2-3-5-17)6-14-9-15-8(16-18-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).