2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide

C9H7FN4O2S — CID 19114256

IUPAC2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nnns1
InChIInChI=1S/C9H7FN4O2S/c10-6-1-3-7(4-2-6)16-5-8(15)11-9-12-13-14-17-9/h1-4H,5H2,(H,11,12,14,15)
InChIKeyYAMVVDTYRYCUSJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.09
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide

2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide (PubChem CID 19114256) has the molecular formula C9H7FN4O2S and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
PubChem CID19114256
Molecular FormulaC9H7FN4O2S
Molecular Weight254.25 g/mol
Exact Mass254.03
IUPAC Name2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nnns1
InChIInChI=1S/C9H7FN4O2S/c10-6-1-3-7(4-2-6)16-5-8(15)11-9-12-13-14-17-9/h1-4H,5H2,(H,11,12,14,15)
InChIKeyYAMVVDTYRYCUSJ-UHFFFAOYSA-N
XLogP1.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 114911560
2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114305
2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114282
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-cyano-2-(4-fluorophenoxy)acetamide
CID 79194261
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 43988757
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide (CID 19114256) is 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide is O=C(COc1ccc(F)cc1)Nc1nnns1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide?
The InChIKey is YAMVVDTYRYCUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2S/c10-6-1-3-7(4-2-6)16-5-8(15)11-9-12-13-14-17-9/h1-4H,5H2,(H,11,12,14,15).
What are the key properties of 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide?
2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide has a molecular weight of 254.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 19114256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).