4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile

C8H7F3N4OS — CID 107304520

IUPAC4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc(C(F)(F)F)ns2)CCO1
InChIInChI=1S/C8H7F3N4OS/c9-8(10,11)6-13-7(17-14-6)15-1-2-16-5(3-12)4-15/h5H,1-2,4H2
InChIKeyWMRPVEMNFVDUGS-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.29
Rot. Bonds1

About 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile

4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile (PubChem CID 107304520) has the molecular formula C8H7F3N4OS and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile
PubChem CID107304520
Molecular FormulaC8H7F3N4OS
Molecular Weight264.23 g/mol
Exact Mass264.03
IUPAC Name4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2nc(C(F)(F)F)ns2)CCO1
InChIInChI=1S/C8H7F3N4OS/c9-8(10,11)6-13-7(17-14-6)15-1-2-16-5(3-12)4-15/h5H,1-2,4H2
InChIKeyWMRPVEMNFVDUGS-UHFFFAOYSA-N
XLogP1.29
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
CID 96566785
(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97009069
3-[2-Methoxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanenitrile
CID 107304512
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbothioamide
CID 107304538
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305031
N-[(4-ethylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305195
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
CID 107305449
1-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]ethanamine
CID 107305476
2-(Bromomethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306144
2-(Chloromethyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306146
[6,6-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
CID 107306301
[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
CID 113943892

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile (CID 107304520) is 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile is N#CC1CN(c2nc(C(F)(F)F)ns2)CCO1.
What is the InChIKey of 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile?
The InChIKey is WMRPVEMNFVDUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4OS/c9-8(10,11)6-13-7(17-14-6)15-1-2-16-5(3-12)4-15/h5H,1-2,4H2.
What are the key properties of 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile?
4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile has a molecular weight of 264.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 107304520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).