2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide

C13H11ClF3N3O3S — CID 6554686

IUPAC2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide
SMILESNC1=NC(=O)[C@@H](CC(=O)Nc2ccc(OC(F)(F)[C@@H](F)Cl)cc2)S1
InChIInChI=1S/C13H11ClF3N3O3S/c14-11(15)13(16,17)23-7-3-1-6(2-4-7)19-9(21)5-8-10(22)20-12(18)24-8/h1-4,8,11H,5H2,(H,19,21)(H2,18,20,22)/t8-,11-/m1/s1
InChIKeyAULUZGPHYOACPG-LDYMZIIASA-N
MW381.76 g/mol
LogP2.48
Rot. Bonds6

About 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide

2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide (PubChem CID 6554686) has the molecular formula C13H11ClF3N3O3S and a molecular weight of 381.76 g/mol. Its IUPAC name is 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide
PubChem CID6554686
Molecular FormulaC13H11ClF3N3O3S
Molecular Weight381.76 g/mol
Exact Mass381.02
IUPAC Name2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide
SMILESNC1=NC(=O)[C@@H](CC(=O)Nc2ccc(OC(F)(F)[C@@H](F)Cl)cc2)S1
InChIInChI=1S/C13H11ClF3N3O3S/c14-11(15)13(16,17)23-7-3-1-6(2-4-7)19-9(21)5-8-10(22)20-12(18)24-8/h1-4,8,11H,5H2,(H,19,21)(H2,18,20,22)/t8-,11-/m1/s1
InChIKeyAULUZGPHYOACPG-LDYMZIIASA-N
XLogP2.48
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 3936820
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1387313
[4-[[2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]acetyl]amino]phenyl] acetate
CID 1350500
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2938084
2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9398924
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 2897686
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
CID 11963472
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 11963393
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide
CID 11963349
2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27438446

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide?
The IUPAC name of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide (CID 6554686) is 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide?
The canonical SMILES for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide is NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(OC(F)(F)[C@@H](F)Cl)cc2)S1.
What is the InChIKey of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide?
The InChIKey is AULUZGPHYOACPG-LDYMZIIASA-N. The full InChI is InChI=1S/C13H11ClF3N3O3S/c14-11(15)13(16,17)23-7-3-1-6(2-4-7)19-9(21)5-8-10(22)20-12(18)24-8/h1-4,8,11H,5H2,(H,19,21)(H2,18,20,22)/t8-,11-/m1/s1.
What are the key properties of 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide?
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide has a molecular weight of 381.76 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide is sourced from PubChem (CID 6554686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).