2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide

C11H12N4O2S — CID 19114282

IUPAC2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1nnns1
InChIInChI=1S/C11H12N4O2S/c1-7-4-3-5-8(2)10(7)17-6-9(16)12-11-13-14-15-18-11/h3-5H,6H2,1-2H3,(H,12,13,15,16)
InChIKeyKBUAMFWZACBUKI-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.57
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide

2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide (PubChem CID 19114282) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
PubChem CID19114282
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1nnns1
InChIInChI=1S/C11H12N4O2S/c1-7-4-3-5-8(2)10(7)17-6-9(16)12-11-13-14-15-18-11/h3-5H,6H2,1-2H3,(H,12,13,15,16)
InChIKeyKBUAMFWZACBUKI-UHFFFAOYSA-N
XLogP1.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114305
2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 114911560
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114256
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 7943874
2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114260
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide (CID 19114282) is 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1nnns1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The InChIKey is KBUAMFWZACBUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-4-3-5-8(2)10(7)17-6-9(16)12-11-13-14-15-18-11/h3-5H,6H2,1-2H3,(H,12,13,15,16).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 19114282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).