3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

C9H13F2N3OS — CID 167752893

IUPAC3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCc1nsc(N2CCOCC2CC(F)F)n1
InChIInChI=1S/C9H13F2N3OS/c1-6-12-9(16-13-6)14-2-3-15-5-7(14)4-8(10)11/h7-8H,2-5H2,1H3
InChIKeyHMHCZEXZFFAVEI-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.71
Rot. Bonds3

About 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 167752893) has the molecular formula C9H13F2N3OS and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID167752893
Molecular FormulaC9H13F2N3OS
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC Name3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCc1nsc(N2CCOCC2CC(F)F)n1
InChIInChI=1S/C9H13F2N3OS/c1-6-12-9(16-13-6)14-2-3-15-5-7(14)4-8(10)11/h7-8H,2-5H2,1H3
InChIKeyHMHCZEXZFFAVEI-UHFFFAOYSA-N
XLogP1.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71866356
(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793337
3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
CID 96566785
(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126422630
(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97009069
(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793335
3-(methoxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 75442119
4-[[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]morpholine
CID 83959826
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-carbonitrile
CID 107304520

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine (CID 167752893) is 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine is Cc1nsc(N2CCOCC2CC(F)F)n1.
What is the InChIKey of 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is HMHCZEXZFFAVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3OS/c1-6-12-9(16-13-6)14-2-3-15-5-7(14)4-8(10)11/h7-8H,2-5H2,1H3.
What are the key properties of 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 249.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 167752893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).