2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C14H17N3O2S — CID 875803

IUPAC2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2ccc(C)cc2C)s1
InChIInChI=1S/C14H17N3O2S/c1-4-13-16-17-14(20-13)15-12(18)8-19-11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3,(H,15,17,18)
InChIKeyRHNBJXYFMORVEZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.73
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 875803) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID875803
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)COc2ccc(C)cc2C)s1
InChIInChI=1S/C14H17N3O2S/c1-4-13-16-17-14(20-13)15-12(18)8-19-11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3,(H,15,17,18)
InChIKeyRHNBJXYFMORVEZ-UHFFFAOYSA-N
XLogP2.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 875803) is 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)COc2ccc(C)cc2C)s1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RHNBJXYFMORVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-13-16-17-14(20-13)15-12(18)8-19-11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3,(H,15,17,18).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 875803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).