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

C12H12ClN3O3S — CID 1086918

IUPACN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H12ClN3O3S/c1-18-6-10(17)14-12-16-15-11(20-12)7-19-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H,14,16,17)
InChIKeyIZXRHQDJFSXCGP-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.36
Rot. Bonds6

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

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide (PubChem CID 1086918) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
PubChem CID1086918
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC NameN-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H12ClN3O3S/c1-18-6-10(17)14-12-16-15-11(20-12)7-19-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H,14,16,17)
InChIKeyIZXRHQDJFSXCGP-UHFFFAOYSA-N
XLogP2.36
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.36
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-methoxyacetamide?
The IUPAC name of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide (CID 1086918) is N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide is COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide?
The InChIKey is IZXRHQDJFSXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-18-6-10(17)14-12-16-15-11(20-12)7-19-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H,14,16,17).
What are the key properties of N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide?
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide has a molecular weight of 313.77 g/mol, XLogP of 2.36, 6 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-methoxyacetamide is sourced from PubChem (CID 1086918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).