4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine

C8H11F2N3OS — CID 125419912

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine
SMILESCCc1nsc(N2CCOC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N3OS/c1-2-6-11-7(15-12-6)13-3-4-14-8(9,10)5-13/h2-5H2,1H3
InChIKeyXZHSBHCRPQEFCY-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.53
Rot. Bonds2

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine (PubChem CID 125419912) has the molecular formula C8H11F2N3OS and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine
PubChem CID125419912
Molecular FormulaC8H11F2N3OS
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine
SMILESCCc1nsc(N2CCOC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N3OS/c1-2-6-11-7(15-12-6)13-3-4-14-8(9,10)5-13/h2-5H2,1H3
InChIKeyXZHSBHCRPQEFCY-UHFFFAOYSA-N
XLogP1.53
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.53
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
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
CID 71925342
(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
(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-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine (CID 125419912) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine is CCc1nsc(N2CCOC(F)(F)C2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine?
The InChIKey is XZHSBHCRPQEFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3OS/c1-2-6-11-7(15-12-6)13-3-4-14-8(9,10)5-13/h2-5H2,1H3.
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine has a molecular weight of 235.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,2-difluoromorpholine is sourced from PubChem (CID 125419912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).