2-phenoxy-N-(1,3-thiazol-2-yl)propanamide

C12H12N2O2S — CID 4279674

IUPAC2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H12N2O2S/c1-9(16-10-5-3-2-4-6-10)11(15)14-12-13-7-8-17-12/h2-9H,1H3,(H,13,14,15)
InChIKeyQPRUFYKSDXNYSO-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.55
Rot. Bonds4

About 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide

2-phenoxy-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4279674) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4279674
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H12N2O2S/c1-9(16-10-5-3-2-4-6-10)11(15)14-12-13-7-8-17-12/h2-9H,1H3,(H,13,14,15)
InChIKeyQPRUFYKSDXNYSO-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361272
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361278
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
(2S)-2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 42561538
N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 171987768

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide (CID 4279674) is 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide is CC(Oc1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QPRUFYKSDXNYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9(16-10-5-3-2-4-6-10)11(15)14-12-13-7-8-17-12/h2-9H,1H3,(H,13,14,15).
What are the key properties of 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide?
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 248.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4279674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).