2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide

C16H19FN2O2S — CID 86832332

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide
SMILESCCc1nc(CC(=O)NC(C)COc2ccc(F)cc2)cs1
InChIInChI=1S/C16H19FN2O2S/c1-3-16-19-13(10-22-16)8-15(20)18-11(2)9-21-14-6-4-12(17)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyPEOULTXWZAJRNK-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.97
Rot. Bonds7

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide (PubChem CID 86832332) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide
PubChem CID86832332
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide
SMILESCCc1nc(CC(=O)NC(C)COc2ccc(F)cc2)cs1
InChIInChI=1S/C16H19FN2O2S/c1-3-16-19-13(10-22-16)8-15(20)18-11(2)9-21-14-6-4-12(17)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyPEOULTXWZAJRNK-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111110968
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 18145151
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 46266194
N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 95293677
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94639876
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
(2R)-2-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119368491
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 94214954
2-(4-ethylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100589508

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide (CID 86832332) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide is CCc1nc(CC(=O)NC(C)COc2ccc(F)cc2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide?
The InChIKey is PEOULTXWZAJRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-3-16-19-13(10-22-16)8-15(20)18-11(2)9-21-14-6-4-12(17)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide has a molecular weight of 322.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 86832332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).