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

C16H15N3O2S2 — CID 108766318

IUPAC2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc(-c3cccs3)s2)c(C)c1
InChIInChI=1S/C16H15N3O2S2/c1-10-5-6-12(11(2)8-10)21-9-14(20)17-16-19-18-15(23-16)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyUEXINKVJAQTZAL-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.90
Rot. Bonds5

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

2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 108766318) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID108766318
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnc(-c3cccs3)s2)c(C)c1
InChIInChI=1S/C16H15N3O2S2/c1-10-5-6-12(11(2)8-10)21-9-14(20)17-16-19-18-15(23-16)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyUEXINKVJAQTZAL-UHFFFAOYSA-N
XLogP3.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29297483
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
2-(4-methylphenyl)sulfanyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201339
2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 17434847
benzene;hexakis(2-(4-chloro-2-methylphenoxy)-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)acetamide)
CID 175653214
2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 8918792
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide
CID 108744035
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 108766318) is 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(OCC(=O)Nc2nnc(-c3cccs3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UEXINKVJAQTZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-5-6-12(11(2)8-10)21-9-14(20)17-16-19-18-15(23-16)13-4-3-7-22-13/h3-8H,9H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 108766318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).