1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine

C6H7F3N4S — CID 107305376

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
SMILESNC1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C6H7F3N4S/c7-6(8,9)4-11-5(14-12-4)13-1-3(10)2-13/h3H,1-2,10H2
InChIKeyNQALUTKKFXWIKK-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.70
Rot. Bonds1

About 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine (PubChem CID 107305376) has the molecular formula C6H7F3N4S and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
PubChem CID107305376
Molecular FormulaC6H7F3N4S
Molecular Weight224.21 g/mol
Exact Mass224.03
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
SMILESNC1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C6H7F3N4S/c7-6(8,9)4-11-5(14-12-4)13-1-3(10)2-13/h3H,1-2,10H2
InChIKeyNQALUTKKFXWIKK-UHFFFAOYSA-N
XLogP0.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127
N'-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304454
N'-propan-2-yl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304462
N'-cyclopropyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304463
3-N-methyl-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 107304488
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304576
5-(3-Methylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304580
N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304581
5-(2,5-Dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304584
N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304585

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine (CID 107305376) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine is NC1CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The InChIKey is NQALUTKKFXWIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4S/c7-6(8,9)4-11-5(14-12-4)13-1-3(10)2-13/h3H,1-2,10H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine has a molecular weight of 224.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine is sourced from PubChem (CID 107305376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).