morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid

C16H21F3N4O4S — CID 155840662

IUPACmorpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CC12CCN(c1nncs1)CC2)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2S.C2HF3O2/c19-12(17-5-7-20-8-6-17)11-9-14(11)1-3-18(4-2-14)13-16-15-10-21-13;3-2(4,5)1(6)7/h10-11H,1-9H2;(H,6,7)
InChIKeyWUEUVEXDXHJLGI-UHFFFAOYSA-N
MW422.43 g/mol
LogP1.64
Rot. Bonds2

About morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid

morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155840662) has the molecular formula C16H21F3N4O4S and a molecular weight of 422.43 g/mol. Its IUPAC name is morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155840662
Molecular FormulaC16H21F3N4O4S
Molecular Weight422.43 g/mol
Exact Mass422.12
IUPAC Namemorpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CC12CCN(c1nncs1)CC2)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O2S.C2HF3O2/c19-12(17-5-7-20-8-6-17)11-9-14(11)1-3-18(4-2-14)13-16-15-10-21-13;3-2(4,5)1(6)7/h10-11H,1-9H2;(H,6,7)
InChIKeyWUEUVEXDXHJLGI-UHFFFAOYSA-N
XLogP1.64
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-[(2S)-6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 97493487
pyrrolidin-1-yl-[5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptan-2-yl]methanone
CID 131654574
N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155827951
N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747040
4-(1,3,4-thiadiazol-2-yl)morpholine;hydrochloride
CID 3047399
1-phenyl-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171688687
(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493289
(2R,3R)-N-cyclobutyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778397
morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155829085
acetic acid;[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66881287
1-methyl-9-(1,3,4-thiadiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97491911
(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97396826

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155840662) is morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid is O=C(C1CC12CCN(c1nncs1)CC2)N1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is WUEUVEXDXHJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S.C2HF3O2/c19-12(17-5-7-20-8-6-17)11-9-14(11)1-3-18(4-2-14)13-16-15-10-21-13;3-2(4,5)1(6)7/h10-11H,1-9H2;(H,6,7).
What are the key properties of morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?
morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 422.43 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155840662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).