N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide

C19H18N2O2S — CID 2988067

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H18N2O2S/c1-14(23-16-10-6-3-7-11-16)18(22)21-19-20-13-17(24-19)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,20,21,22)
InChIKeyLZIRRUQYBGTFJI-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.14
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide (PubChem CID 2988067) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
PubChem CID2988067
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H18N2O2S/c1-14(23-16-10-6-3-7-11-16)18(22)21-19-20-13-17(24-19)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,20,21,22)
InChIKeyLZIRRUQYBGTFJI-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 51583917
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)propanamide
CID 46693319
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034463
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 46968486
2-(2-cyanophenoxy)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55597894
N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 89279295
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide (CID 2988067) is N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide?
The InChIKey is LZIRRUQYBGTFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14(23-16-10-6-3-7-11-16)18(22)21-19-20-13-17(24-19)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide has a molecular weight of 338.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide is sourced from PubChem (CID 2988067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).