1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide

C19H20F3N3O2S — CID 71071866

IUPAC1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2sc(Cc3cccc(C(F)(F)F)c3)nc2C)C1
InChIInChI=1S/C19H20F3N3O2S/c1-11-18(24-17(27)14-6-7-25(10-14)12(2)26)28-16(23-11)9-13-4-3-5-15(8-13)19(20,21)22/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,24,27)
InChIKeyLDTZOMGMUHVJBW-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.87
Rot. Bonds4

About 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide

1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 71071866) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID71071866
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2sc(Cc3cccc(C(F)(F)F)c3)nc2C)C1
InChIInChI=1S/C19H20F3N3O2S/c1-11-18(24-17(27)14-6-7-25(10-14)12(2)26)28-16(23-11)9-13-4-3-5-15(8-13)19(20,21)22/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,24,27)
InChIKeyLDTZOMGMUHVJBW-UHFFFAOYSA-N
XLogP3.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide 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

(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 71071745
N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]thiophene-3-carboxamide
CID 71071188
3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide
CID 71071620
(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide
CID 71082020
3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 71082021
(3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 30377719
5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide
CID 71071530
(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 51595150
2-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066894
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
(3R)-1-[(2R)-2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124692978
1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157265022

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide (CID 71071866) is 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide is CC(=O)N1CCC(C(=O)Nc2sc(Cc3cccc(C(F)(F)F)c3)nc2C)C1.
What is the InChIKey of 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is LDTZOMGMUHVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-11-18(24-17(27)14-6-7-25(10-14)12(2)26)28-16(23-11)9-13-4-3-5-15(8-13)19(20,21)22/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,24,27).
What are the key properties of 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71071866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).