N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H13F3N4S — CID 107305392

IUPACN-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(F)(F)F)ns1)C1CNC1
InChIInChI=1S/C9H13F3N4S/c1-2-3-16(6-4-13-5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyAOBMCYJYRPPIRS-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.75
Rot. Bonds4

About N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305392) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305392
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(F)(F)F)ns1)C1CNC1
InChIInChI=1S/C9H13F3N4S/c1-2-3-16(6-4-13-5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyAOBMCYJYRPPIRS-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]propan-1-amine
CID 83959832
3-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854488
3-ethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854524
N'-cyclopropyl-N'-ethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105967748
2-N-cyclopropyl-2-N-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 105968559
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127
1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,4-diamine
CID 106127410
5-(1,4-Diazepan-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304250
N'-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304454
N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304461

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305392) is N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCCN(c1nc(C(F)(F)F)ns1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AOBMCYJYRPPIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-2-3-16(6-4-13-5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).