2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide

C11H11F3N4O3S — CID 78859622

IUPAC2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)s1
InChIInChI=1S/C11H11F3N4O3S/c12-11(13,14)4-18-3-5(1-7(18)19)9(21)17-10-16-2-6(22-10)8(15)20/h2,5H,1,3-4H2,(H2,15,20)(H,16,17,21)
InChIKeySGXUTUDZXQCJRO-UHFFFAOYSA-N
MW336.30 g/mol
LogP0.59
Rot. Bonds4

About 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide

2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78859622) has the molecular formula C11H11F3N4O3S and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78859622
Molecular FormulaC11H11F3N4O3S
Molecular Weight336.30 g/mol
Exact Mass336.05
IUPAC Name2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)s1
InChIInChI=1S/C11H11F3N4O3S/c12-11(13,14)4-18-3-5(1-7(18)19)9(21)17-10-16-2-6(22-10)8(15)20/h2,5H,1,3-4H2,(H2,15,20)(H,16,17,21)
InChIKeySGXUTUDZXQCJRO-UHFFFAOYSA-N
XLogP0.59
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 132469550
2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 164630570
N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
CID 117089736
N-(5-methyl-1,3-thiazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 45812068
N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710562
2-(ethylamino)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 71864067
(3R)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 93612004
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 93612005
2-(ethylamino)-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525680
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120905204
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120905205

Frequently Asked Questions

What is the IUPAC name of 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 78859622) is 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)s1.
What is the InChIKey of 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is SGXUTUDZXQCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3S/c12-11(13,14)4-18-3-5(1-7(18)19)9(21)17-10-16-2-6(22-10)8(15)20/h2,5H,1,3-4H2,(H2,15,20)(H,16,17,21).
What are the key properties of 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 336.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78859622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).