2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide

C11H12F3N3O2S — CID 90890905

IUPAC2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCc1ncsc1C(=O)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2S/c1-6-8(20-5-15-6)9(18)17-3-2-7(4-17)16-10(19)11(12,13)14/h5,7H,2-4H2,1H3,(H,16,19)
InChIKeyAAQXOXFGSFUDLF-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.34
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 90890905) has the molecular formula C11H12F3N3O2S and a molecular weight of 307.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID90890905
Molecular FormulaC11H12F3N3O2S
Molecular Weight307.30 g/mol
Exact Mass307.06
IUPAC Name2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCc1ncsc1C(=O)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2S/c1-6-8(20-5-15-6)9(18)17-3-2-7(4-17)16-10(19)11(12,13)14/h5,7H,2-4H2,1H3,(H,16,19)
InChIKeyAAQXOXFGSFUDLF-UHFFFAOYSA-N
XLogP1.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide 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

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71667381
4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)formamido]acetamide
CID 47209159
4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 45823479
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035706
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47076990
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208452
4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47210198
tert-butyl N-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]carbamate
CID 47453269
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448741
2-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 49506769

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide (CID 90890905) is 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide is Cc1ncsc1C(=O)N1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is AAQXOXFGSFUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S/c1-6-8(20-5-15-6)9(18)17-3-2-7(4-17)16-10(19)11(12,13)14/h5,7H,2-4H2,1H3,(H,16,19).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 307.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 90890905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).