N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide

C17H14FN3O2S — CID 784939

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C17H14FN3O2S/c18-14-9-5-4-6-12(14)10-16-20-21-17(24-16)19-15(22)11-23-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,19,21,22)
InChIKeyLIBMMZJDHZYTQF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.29
Rot. Bonds6

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

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 784939) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
PubChem CID784939
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C17H14FN3O2S/c18-14-9-5-4-6-12(14)10-16-20-21-17(24-16)19-15(22)11-23-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,19,21,22)
InChIKeyLIBMMZJDHZYTQF-UHFFFAOYSA-N
XLogP3.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 976078
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
Ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665231
2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 777645

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide (CID 784939) is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nnc(Cc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is LIBMMZJDHZYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-14-9-5-4-6-12(14)10-16-20-21-17(24-16)19-15(22)11-23-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,19,21,22).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 343.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 784939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).