2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide

C9H9N5O2S — CID 114911560

IUPAC2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESNc1cccc(OCC(=O)Nc2nnns2)c1
InChIInChI=1S/C9H9N5O2S/c10-6-2-1-3-7(4-6)16-5-8(15)11-9-12-13-14-17-9/h1-4H,5,10H2,(H,11,12,14,15)
InChIKeySGGWACDPLKLZOX-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.53
Rot. Bonds4

About 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide

2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide (PubChem CID 114911560) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
PubChem CID114911560
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESNc1cccc(OCC(=O)Nc2nnns2)c1
InChIInChI=1S/C9H9N5O2S/c10-6-2-1-3-7(4-6)16-5-8(15)11-9-12-13-14-17-9/h1-4H,5,10H2,(H,11,12,14,15)
InChIKeySGGWACDPLKLZOX-UHFFFAOYSA-N
XLogP0.53
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114256
2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114282
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114305
2-(3-aminophenoxy)-N-(5-fluoro-2-pyridinyl)acetamide
CID 65481050
2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 61034820
2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
CID 61035585
2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 104616215
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 61090242

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide (CID 114911560) is 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide is Nc1cccc(OCC(=O)Nc2nnns2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide?
The InChIKey is SGGWACDPLKLZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c10-6-2-1-3-7(4-6)16-5-8(15)11-9-12-13-14-17-9/h1-4H,5,10H2,(H,11,12,14,15).
What are the key properties of 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide?
2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide has a molecular weight of 251.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 114911560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).