N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide

C9H9F3N4O2S — CID 154739331

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)c1csnn1
InChIInChI=1S/C9H9F3N4O2S/c10-9(11,12)4-16-2-1-5(8(16)18)13-7(17)6-3-19-15-14-6/h3,5H,1-2,4H2,(H,13,17)
InChIKeyHZLFXSWLJWUVIJ-UHFFFAOYSA-N
MW294.26 g/mol
LogP0.43
Rot. Bonds3

About N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide (PubChem CID 154739331) has the molecular formula C9H9F3N4O2S and a molecular weight of 294.26 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide
PubChem CID154739331
Molecular FormulaC9H9F3N4O2S
Molecular Weight294.26 g/mol
Exact Mass294.04
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)c1csnn1
InChIInChI=1S/C9H9F3N4O2S/c10-9(11,12)4-16-2-1-5(8(16)18)13-7(17)6-3-19-15-14-6/h3,5H,1-2,4H2,(H,13,17)
InChIKeyHZLFXSWLJWUVIJ-UHFFFAOYSA-N
XLogP0.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide
CID 114383632
N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide;hydrochloride
CID 120411673
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide;hydrochloride
CID 120811238
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 120811239
N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide
CID 126792225
N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 126996511
N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide
CID 136531036
1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 154806111
N-[2-(cyclopentylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 4295228
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 25451440
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 25451445
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 42147826

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide (CID 154739331) is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1=O)c1csnn1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide?
The InChIKey is HZLFXSWLJWUVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2S/c10-9(11,12)4-16-2-1-5(8(16)18)13-7(17)6-3-19-15-14-6/h3,5H,1-2,4H2,(H,13,17).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 154739331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).