ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate

C14H14FN3O4S — CID 3721973

IUPACethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)COc2ccccc2F)s1
InChIInChI=1S/C14H14FN3O4S/c1-2-21-13(20)7-12-17-18-14(23-12)16-11(19)8-22-10-6-4-3-5-9(10)15/h3-6H,2,7-8H2,1H3,(H,16,18,19)
InChIKeyZUZVPJKHOXHRDH-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.80
Rot. Bonds7

About ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate

ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate (PubChem CID 3721973) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
PubChem CID3721973
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Nameethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nnc(NC(=O)COc2ccccc2F)s1
InChIInChI=1S/C14H14FN3O4S/c1-2-21-13(20)7-12-17-18-14(23-12)16-11(19)8-22-10-6-4-3-5-9(10)15/h3-6H,2,7-8H2,1H3,(H,16,18,19)
InChIKeyZUZVPJKHOXHRDH-UHFFFAOYSA-N
XLogP1.80
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[5-[(2-phenylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665313
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
2-(2,4-difluorophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 31902407
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3477268
2-(2-propan-2-ylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178842
2-(2-tert-butylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 733445
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119777307

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate (CID 3721973) is ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate is CCOC(=O)Cc1nnc(NC(=O)COc2ccccc2F)s1.
What is the InChIKey of ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
The InChIKey is ZUZVPJKHOXHRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c1-2-21-13(20)7-12-17-18-14(23-12)16-11(19)8-22-10-6-4-3-5-9(10)15/h3-6H,2,7-8H2,1H3,(H,16,18,19).
What are the key properties of ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate?
ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate has a molecular weight of 339.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate is sourced from PubChem (CID 3721973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).