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

C18H16FN3O3S — CID 1150765

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H16FN3O3S/c1-24-14-3-2-4-15(10-14)25-11-16(23)20-18-22-21-17(26-18)9-12-5-7-13(19)8-6-12/h2-8,10H,9,11H2,1H3,(H,20,22,23)
InChIKeyIJAHPFWRNXPTKX-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.29
Rot. Bonds7

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

N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 1150765) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide
PubChem CID1150765
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H16FN3O3S/c1-24-14-3-2-4-15(10-14)25-11-16(23)20-18-22-21-17(26-18)9-12-5-7-13(19)8-6-12/h2-8,10H,9,11H2,1H3,(H,20,22,23)
InChIKeyIJAHPFWRNXPTKX-UHFFFAOYSA-N
XLogP3.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
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
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 675228
2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 777645
N-[5-(ethylpropyl)(1,3,4-thiadiazol-2-yl)]-2-(4-methyl-2-oxochromen-7-yloxy)ac etamide
CID 1579419
2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2203190
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2394599
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenoxypropanamide
CID 2932483
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4879857
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
CID 921302

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide (CID 1150765) is N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is IJAHPFWRNXPTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-24-14-3-2-4-15(10-14)25-11-16(23)20-18-22-21-17(26-18)9-12-5-7-13(19)8-6-12/h2-8,10H,9,11H2,1H3,(H,20,22,23).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide?
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 1150765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).