(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate

C16H18N2O3S — CID 57042623

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate
SMILESCC(C)c1cnc(CC(=O)OC(C(N)=O)c2ccccc2)s1
InChIInChI=1S/C16H18N2O3S/c1-10(2)12-9-18-13(22-12)8-14(19)21-15(16(17)20)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H2,17,20)
InChIKeyHDVNUYJCDUQRQM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.58
Rot. Bonds6

About (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate

(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate (PubChem CID 57042623) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate
PubChem CID57042623
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate
SMILESCC(C)c1cnc(CC(=O)OC(C(N)=O)c2ccccc2)s1
InChIInChI=1S/C16H18N2O3S/c1-10(2)12-9-18-13(22-12)8-14(19)21-15(16(17)20)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H2,17,20)
InChIKeyHDVNUYJCDUQRQM-UHFFFAOYSA-N
XLogP2.58
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate
CID 16595235
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32935657
[(1S)-2-amino-2-oxo-1-phenylethyl] 2-tert-butyl-1,3-thiazole-5-carboxylate
CID 95049199
(2-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate
CID 47017673
1-(1-phenylcyclopropyl)-2-[5-(1-phenylethyl)-1,3-thiazol-2-yl]ethanone
CID 58554324
(2-amino-2-oxo-1-phenylethyl) 4-cyclohexylbutanoate
CID 43038716
(2-amino-2-oxo-1-phenylethyl) 2-(2,5-dimethylphenyl)sulfanylacetate
CID 16595248
(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
CID 16595671
(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 16596540
(2-amino-2-oxo-1-phenylethyl) 2-(benzylsulfonylamino)acetate
CID 47017349
(2-amino-2-oxo-1-phenylethyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate
CID 16581774
(2-amino-2-oxo-1-phenylethyl) methanesulfonate
CID 57276683

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate (CID 57042623) is (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate is CC(C)c1cnc(CC(=O)OC(C(N)=O)c2ccccc2)s1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate?
The InChIKey is HDVNUYJCDUQRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10(2)12-9-18-13(22-12)8-14(19)21-15(16(17)20)11-6-4-3-5-7-11/h3-7,9-10,15H,8H2,1-2H3,(H2,17,20).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate?
(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate has a molecular weight of 318.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 57042623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).