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

C12H13N3O2S — CID 733458

IUPAC2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2nncs2)c1
InChIInChI=1S/C12H13N3O2S/c1-8-3-4-9(2)10(5-8)17-6-11(16)14-12-15-13-7-18-12/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyWKXWDOHAFUPTTI-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.17
Rot. Bonds4

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

2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 733458) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID733458
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2nncs2)c1
InChIInChI=1S/C12H13N3O2S/c1-8-3-4-9(2)10(5-8)17-6-11(16)14-12-15-13-7-18-12/h3-5,7H,6H2,1-2H3,(H,14,15,16)
InChIKeyWKXWDOHAFUPTTI-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

4-(2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1637640
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
2-(2-isopropyl-5-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 2193871
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2203190
N-(2-butyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 2219063
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 16017305
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 2669923
N-[1,3,4]Thiadiazol-2-yl-4-p-tolyloxy-butyramide
CID 649235
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 953039
2-(2,3-dimethylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953413
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(1-naphthyloxy)acetamide
CID 2092999

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 733458) is 2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(C)c(OCC(=O)Nc2nncs2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WKXWDOHAFUPTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-3-4-9(2)10(5-8)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-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(2,5-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-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 733458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).