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

C7H9F3N4S — CID 107306271

IUPAC[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine
SMILESNCC1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-12-6(15-13-5)14-2-4(1-11)3-14/h4H,1-3,11H2
InChIKeyUVFGQGNTZMOHHI-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.95
Rot. Bonds2

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

[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine (PubChem CID 107306271) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine
PubChem CID107306271
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine
SMILESNCC1CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)5-12-6(15-13-5)14-2-4(1-11)3-14/h4H,1-3,11H2
InChIKeyUVFGQGNTZMOHHI-UHFFFAOYSA-N
XLogP0.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
N'-ethyl-2-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304484
N',2-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304485
3-N-methyl-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 107304488
3-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanethioamide
CID 107304523
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropanethioamide
CID 107304524
3-[2-Methylpropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanethioamide
CID 107304528
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304577
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,4-diamine
CID 107304578

Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine?
The IUPAC name of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine (CID 107306271) is [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine.
What is the SMILES notation for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine?
The canonical SMILES for [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine is NCC1CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine?
The InChIKey is UVFGQGNTZMOHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c8-7(9,10)5-12-6(15-13-5)14-2-4(1-11)3-14/h4H,1-3,11H2.
What are the key properties of [1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine?
[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl]methanamine has a molecular weight of 238.24 g/mol, XLogP of 0.95, 2 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-yl]methanamine is sourced from PubChem (CID 107306271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).