[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate

C19H16N2O3S — CID 3132918

IUPAC[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c1-13(22)24-17(15-10-6-3-7-11-15)18(23)21-19-20-16(12-25-19)14-8-4-2-5-9-14/h2-12,17H,1H3,(H,20,21,23)
InChIKeyUOSNMLYNQHODIB-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.05
Rot. Bonds5

About [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate

[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate (PubChem CID 3132918) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate
PubChem CID3132918
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c1-13(22)24-17(15-10-6-3-7-11-15)18(23)21-19-20-16(12-25-19)14-8-4-2-5-9-14/h2-12,17H,1H3,(H,20,21,23)
InChIKeyUOSNMLYNQHODIB-UHFFFAOYSA-N
XLogP4.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 1458291
[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 2933835
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-propan-2-ylbenzoate
CID 16521251
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-acetamidobenzoate
CID 16520816
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775704
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate?
The IUPAC name of [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate (CID 3132918) is [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate.
What is the SMILES notation for [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate?
The canonical SMILES for [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate is CC(=O)OC(C(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate?
The InChIKey is UOSNMLYNQHODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-13(22)24-17(15-10-6-3-7-11-15)18(23)21-19-20-16(12-25-19)14-8-4-2-5-9-14/h2-12,17H,1H3,(H,20,21,23).
What are the key properties of [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate?
[2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate has a molecular weight of 352.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] acetate is sourced from PubChem (CID 3132918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).