2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide

C11H11ClN4O2S — CID 19114305

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nnns2)cc(C)c1Cl
InChIInChI=1S/C11H11ClN4O2S/c1-6-3-8(4-7(2)10(6)12)18-5-9(17)13-11-14-15-16-19-11/h3-4H,5H2,1-2H3,(H,13,14,16,17)
InChIKeyPLACGSHXKFJTSS-UHFFFAOYSA-N
MW298.76 g/mol
LogP2.22
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide (PubChem CID 19114305) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.76 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
PubChem CID19114305
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.76 g/mol
Exact Mass298.03
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nnns2)cc(C)c1Cl
InChIInChI=1S/C11H11ClN4O2S/c1-6-3-8(4-7(2)10(6)12)18-5-9(17)13-11-14-15-16-19-11/h3-4H,5H2,1-2H3,(H,13,14,16,17)
InChIKeyPLACGSHXKFJTSS-UHFFFAOYSA-N
XLogP2.22
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
2-(2,6-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114282
2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114260
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
2-(4-fluorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114256
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 19178514
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-(3-aminophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 114911560
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 112979011

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide (CID 19114305) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide is Cc1cc(OCC(=O)Nc2nnns2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide?
The InChIKey is PLACGSHXKFJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-6-3-8(4-7(2)10(6)12)18-5-9(17)13-11-14-15-16-19-11/h3-4H,5H2,1-2H3,(H,13,14,16,17).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide has a molecular weight of 298.76 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 19114305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).