1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one

C11H10F3N5O2S — CID 84584234

IUPAC1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one
SMILESO=C1C(n2nnn(-c3cccs3)c2=O)CCN1CC(F)(F)F
InChIInChI=1S/C11H10F3N5O2S/c12-11(13,14)6-17-4-3-7(9(17)20)18-10(21)19(16-15-18)8-2-1-5-22-8/h1-2,5,7H,3-4,6H2
InChIKeyFWDGPMKVUNJIQJ-UHFFFAOYSA-N
MW333.30 g/mol
LogP0.83
Rot. Bonds3

About 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one

1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one (PubChem CID 84584234) has the molecular formula C11H10F3N5O2S and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one.

Molecular Properties

Compound Name1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one
PubChem CID84584234
Molecular FormulaC11H10F3N5O2S
Molecular Weight333.30 g/mol
Exact Mass333.05
IUPAC Name1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one
SMILESO=C1C(n2nnn(-c3cccs3)c2=O)CCN1CC(F)(F)F
InChIInChI=1S/C11H10F3N5O2S/c12-11(13,14)6-17-4-3-7(9(17)20)18-10(21)19(16-15-18)8-2-1-5-22-8/h1-2,5,7H,3-4,6H2
InChIKeyFWDGPMKVUNJIQJ-UHFFFAOYSA-N
XLogP0.83
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one
CID 97562876
1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one
CID 97562875
3-(4-Thiophen-2-ylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 122157193
(3R)-3-(4-thiophen-2-ylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124568996
(3S)-3-(4-thiophen-2-ylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124568997
N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17450270
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17564212
1-[2-(4-Cyclopropylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one
CID 56799533
2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide
CID 17449641
N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide
CID 18225779
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581318
N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24632602

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one?
The IUPAC name of 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one (CID 84584234) is 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one.
What is the SMILES notation for 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one?
The canonical SMILES for 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one is O=C1C(n2nnn(-c3cccs3)c2=O)CCN1CC(F)(F)F.
What is the InChIKey of 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one?
The InChIKey is FWDGPMKVUNJIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2S/c12-11(13,14)6-17-4-3-7(9(17)20)18-10(21)19(16-15-18)8-2-1-5-22-8/h1-2,5,7H,3-4,6H2.
What are the key properties of 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one?
1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one has a molecular weight of 333.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one is sourced from PubChem (CID 84584234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).