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

C10H14F3N3O2S — CID 119324325

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)C1CSCN1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)4-16-2-1-6(9(16)18)15-8(17)7-3-19-5-14-7/h6-7,14H,1-5H2,(H,15,17)
InChIKeyNBBYUGNOKASJGZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.07
Rot. Bonds3

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

N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119324325) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID119324325
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)C1CSCN1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)4-16-2-1-6(9(16)18)15-8(17)7-3-19-5-14-7/h6-7,14H,1-5H2,(H,15,17)
InChIKeyNBBYUGNOKASJGZ-UHFFFAOYSA-N
XLogP-0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119324335
(2S,5R)-5-(aminomethyl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793212
2-amino-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pentanamide;hydrochloride
CID 119324342
4-(methylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide;hydrochloride
CID 119784798
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 120932603
6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 127391213
(3R)-3-(thian-4-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97104581
2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 119784835
3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 128853403
1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-(thiophen-3-ylmethyl)urea
CID 154748485
methyl (2S)-3,3-dimethyl-2-[[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butanoate
CID 97225635
1-(3,4-dichlorophenyl)-2-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 86938913

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide (CID 119324325) is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1=O)C1CSCN1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NBBYUGNOKASJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)4-16-2-1-6(9(16)18)15-8(17)7-3-19-5-14-7/h6-7,14H,1-5H2,(H,15,17).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 297.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119324325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).