N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid

C14H17F3N4O3S — CID 155827951

IUPACN-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)C1CC12CCN(c1nncs1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N4OS.C2HF3O2/c17-10(14-8-1-2-8)9-5-12(9)3-4-16(6-12)11-15-13-7-18-11;3-2(4,5)1(6)7/h7-9H,1-6H2,(H,14,17);(H,6,7)
InChIKeyMLVGCEYRBXPDDP-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.67
Rot. Bonds3

About N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155827951) has the molecular formula C14H17F3N4O3S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155827951
Molecular FormulaC14H17F3N4O3S
Molecular Weight378.38 g/mol
Exact Mass378.10
IUPAC NameN-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)C1CC12CCN(c1nncs1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N4OS.C2HF3O2/c17-10(14-8-1-2-8)9-5-12(9)3-4-16(6-12)11-15-13-7-18-11;3-2(4,5)1(6)7/h7-9H,1-6H2,(H,14,17);(H,6,7)
InChIKeyMLVGCEYRBXPDDP-UHFFFAOYSA-N
XLogP1.67
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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-[6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155840662
pyrrolidin-1-yl-[5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptan-2-yl]methanone
CID 131654574
N-(cyclopropylmethyl)-9-(1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155824222
1-phenyl-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171688687
morpholin-4-yl-[(2S)-6-(1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone
CID 97493487
(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97484299
(3R)-N-methyl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97396826
2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 163352586
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
(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97415499

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155827951) is N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)C1CC12CCN(c1nncs1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MLVGCEYRBXPDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS.C2HF3O2/c17-10(14-8-1-2-8)9-5-12(9)3-4-16(6-12)11-15-13-7-18-11;3-2(4,5)1(6)7/h7-9H,1-6H2,(H,14,17);(H,6,7).
What are the key properties of N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 378.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).