N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide

C21H21N3O3S — CID 46436013

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C(C)OCc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-14(27-12-16-6-4-3-5-7-16)20(26)24-21-23-19(13-28-21)17-8-10-18(11-9-17)22-15(2)25/h3-11,13-14H,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyRBTXHZOCHFOZKU-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.31
Rot. Bonds7

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide (PubChem CID 46436013) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide
PubChem CID46436013
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C(C)OCc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O3S/c1-14(27-12-16-6-4-3-5-7-16)20(26)24-21-23-19(13-28-21)17-8-10-18(11-9-17)22-15(2)25/h3-11,13-14H,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyRBTXHZOCHFOZKU-UHFFFAOYSA-N
XLogP4.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-acetamidobenzoate
CID 16520816
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 41190342
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
tert-butyl N-[(2S,3R)-1-oxo-3-phenylmethoxy-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 2213521
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-acetamidobenzoate
CID 8821041

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide (CID 46436013) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)C(C)OCc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide?
The InChIKey is RBTXHZOCHFOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14(27-12-16-6-4-3-5-7-16)20(26)24-21-23-19(13-28-21)17-8-10-18(11-9-17)22-15(2)25/h3-11,13-14H,12H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide has a molecular weight of 395.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 46436013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).