2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide

C12H11FN2O2S — CID 49345468

IUPAC2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1cscn1
InChIInChI=1S/C12H11FN2O2S/c13-9-1-3-11(4-2-9)17-6-12(16)14-5-10-7-18-8-15-10/h1-4,7-8H,5-6H2,(H,14,16)
InChIKeyPVFMQSLPSRAVEB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide

2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide (PubChem CID 49345468) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
PubChem CID49345468
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1cscn1
InChIInChI=1S/C12H11FN2O2S/c13-9-1-3-11(4-2-9)17-6-12(16)14-5-10-7-18-8-15-10/h1-4,7-8H,5-6H2,(H,14,16)
InChIKeyPVFMQSLPSRAVEB-UHFFFAOYSA-N
XLogP1.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole
CID 142639749
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122354280
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 32774847
3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
2-(4-fluorophenoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110660416
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 121137422
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122353987
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide (CID 49345468) is 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide is O=C(COc1ccc(F)cc1)NCc1cscn1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide?
The InChIKey is PVFMQSLPSRAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-1-3-11(4-2-9)17-6-12(16)14-5-10-7-18-8-15-10/h1-4,7-8H,5-6H2,(H,14,16).
What are the key properties of 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide?
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide is sourced from PubChem (CID 49345468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).