N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide

C13H14ClN3O3S — CID 648876

IUPACN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H14ClN3O3S/c1-2-19-7-11(18)15-13-17-16-12(21-13)8-20-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,17,18)
InChIKeyYYHQPNJALWCXMP-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.75
Rot. Bonds7

About N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide (PubChem CID 648876) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide
PubChem CID648876
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H14ClN3O3S/c1-2-19-7-11(18)15-13-17-16-12(21-13)8-20-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,17,18)
InChIKeyYYHQPNJALWCXMP-UHFFFAOYSA-N
XLogP2.75
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 2852882
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
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
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-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2948040
2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16017313
2-(4-chlorophenoxy)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 903168

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide?
The IUPAC name of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide (CID 648876) is N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide is CCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide?
The InChIKey is YYHQPNJALWCXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-2-19-7-11(18)15-13-17-16-12(21-13)8-20-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,17,18).
What are the key properties of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide?
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide has a molecular weight of 327.79 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-ethoxyacetamide is sourced from PubChem (CID 648876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).