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

C13H13Cl2N3O2S — CID 729844

IUPAC2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H13Cl2N3O2S/c1-7(2)12-17-18-13(21-12)16-11(19)6-20-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,18,19)
InChIKeyNMZIJEPPXADWFN-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.99
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 729844) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID729844
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H13Cl2N3O2S/c1-7(2)12-17-18-13(21-12)16-11(19)6-20-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,18,19)
InChIKeyNMZIJEPPXADWFN-UHFFFAOYSA-N
XLogP3.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 945206
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
Ethyl ({5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}amino)(oxo)acetate
CID 2163065
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1382193
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811240
2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2667815
2-(4-bromo-2-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2971352
2-(4-chlorophenoxy)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 903168
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 842071
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811250
2-(2-bromo-4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4330233
N-[5-(4-Chloro-phenoxymethyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648876

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 729844) is 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NMZIJEPPXADWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-7(2)12-17-18-13(21-12)16-11(19)6-20-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,18,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 346.24 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 729844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).