4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C21H26F6N4O5S — CID 167333988

IUPAC4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)C[C@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)c1nc(C(F)(F)F)sc1C(N)=O
InChIInChI=1S/C21H26F6N4O5S/c1-19(2,3)7-10(13-14(15(28)33)37-18(31-13)20(22,23)24)17(35)30-11(6-9-4-5-29-16(9)34)12(32)8-36-21(25,26)27/h9-11H,4-8H2,1-3H3,(H2,28,33)(H,29,34)(H,30,35)/t9-,10-,11-/m0/s1
InChIKeyNYNPVLZNRDLELB-DCAQKATOSA-N
MW560.52 g/mol
LogP2.90
Rot. Bonds10

About 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 167333988) has the molecular formula C21H26F6N4O5S and a molecular weight of 560.52 g/mol. Its IUPAC name is 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID167333988
Molecular FormulaC21H26F6N4O5S
Molecular Weight560.52 g/mol
Exact Mass560.15
IUPAC Name4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)C[C@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)c1nc(C(F)(F)F)sc1C(N)=O
InChIInChI=1S/C21H26F6N4O5S/c1-19(2,3)7-10(13-14(15(28)33)37-18(31-13)20(22,23)24)17(35)30-11(6-9-4-5-29-16(9)34)12(32)8-36-21(25,26)27/h9-11H,4-8H2,1-3H3,(H2,28,33)(H,29,34)(H,30,35)/t9-,10-,11-/m0/s1
InChIKeyNYNPVLZNRDLELB-DCAQKATOSA-N
XLogP2.90
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.52
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-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

(3S)-3-[(2S)-2-amino-3-oxo-4-(trifluoromethoxy)butyl]pyrrolidin-2-one;hydrochloride
CID 166170193
1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide
CID 167333858
1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide
CID 167333890
2-[[(2S)-2-amino-4-fluoro-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 175871162
(2R)-2-hydroxy-N,4-dimethyl-N-[(2S)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]pentanamide
CID 170028297
(2S)-4-methyl-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-2-[(2-oxo-1H-quinolin-3-yl)amino]pentanamide
CID 166170696
3-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 167333895
(2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide
CID 166170540
N-[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]propan-2-yl]-N'-(1-methylcyclopropyl)oxamide
CID 166170210
(6S)-5-[(2S)-2-hydroxy-4,4-dimethylpentanoyl]-N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 166170353
4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 166170609
1-hydroxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]cyclohexane-1-carboxamide
CID 170026838

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 167333988) is 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)(C)C[C@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)c1nc(C(F)(F)F)sc1C(N)=O.
What is the InChIKey of 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NYNPVLZNRDLELB-DCAQKATOSA-N. The full InChI is InChI=1S/C21H26F6N4O5S/c1-19(2,3)7-10(13-14(15(28)33)37-18(31-13)20(22,23)24)17(35)30-11(6-9-4-5-29-16(9)34)12(32)8-36-21(25,26)27/h9-11H,4-8H2,1-3H3,(H2,28,33)(H,29,34)(H,30,35)/t9-,10-,11-/m0/s1.
What are the key properties of 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 560.52 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4,4-dimethyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167333988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).