2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide

C12H13N3O2S — CID 19178770

IUPAC2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2nncs2)c1C
InChIInChI=1S/C12H13N3O2S/c1-8-4-3-5-10(9(8)2)17-6-11(16)14-12-15-13-7-18-12/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyXEASLKCNNVZUHD-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.17
Rot. Bonds4

About 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 19178770) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID19178770
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2nncs2)c1C
InChIInChI=1S/C12H13N3O2S/c1-8-4-3-5-10(9(8)2)17-6-11(16)14-12-15-13-7-18-12/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyXEASLKCNNVZUHD-UHFFFAOYSA-N
XLogP2.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
2-(2-cyanophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 18292317
2-(2,3-dimethylphenoxy)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 5020803
2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1407102
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
2-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
2-(2-bromo-4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369309
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178767
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 46299919

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 19178770) is 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cccc(OCC(=O)Nc2nncs2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XEASLKCNNVZUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-4-3-5-10(9(8)2)17-6-11(16)14-12-15-13-7-18-12/h3-5,7H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 19178770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).