[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate

C13H12N2O3S — CID 763099

IUPAC[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
SMILESCC(=O)O[C@H](C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c1-9(16)18-11(10-5-3-2-4-6-10)12(17)15-13-14-7-8-19-13/h2-8,11H,1H3,(H,14,15,17)/t11-/m0/s1
InChIKeyRZYTZSZNCATTHU-NSHDSACASA-N
MW276.32 g/mol
LogP2.39
Rot. Bonds4

About [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate

[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate (PubChem CID 763099) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
PubChem CID763099
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
SMILESCC(=O)O[C@H](C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c1-9(16)18-11(10-5-3-2-4-6-10)12(17)15-13-14-7-8-19-13/h2-8,11H,1H3,(H,14,15,17)/t11-/m0/s1
InChIKeyRZYTZSZNCATTHU-NSHDSACASA-N
XLogP2.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate
CID 3132918
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
[(1S)-2-[[5-[2-[2-[5-[[(2S)-2-acetyloxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate;sulfane
CID 74982438
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 132899242
ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2890942

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate (CID 763099) is [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate is CC(=O)O[C@H](C(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate?
The InChIKey is RZYTZSZNCATTHU-NSHDSACASA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-9(16)18-11(10-5-3-2-4-6-10)12(17)15-13-14-7-8-19-13/h2-8,11H,1H3,(H,14,15,17)/t11-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate?
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate has a molecular weight of 276.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate is sourced from PubChem (CID 763099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).