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

C17H13ClFN3O3S — CID 3751659

IUPAC2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(COc2ccc(F)cc2)s1
InChIInChI=1S/C17H13ClFN3O3S/c18-11-1-5-13(6-2-11)24-9-15(23)20-17-22-21-16(26-17)10-25-14-7-3-12(19)4-8-14/h1-8H,9-10H2,(H,20,22,23)
InChIKeyHORRQTYRNPHEDL-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.93
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3751659) has the molecular formula C17H13ClFN3O3S and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3751659
Molecular FormulaC17H13ClFN3O3S
Molecular Weight393.83 g/mol
Exact Mass393.04
IUPAC Name2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(COc2ccc(F)cc2)s1
InChIInChI=1S/C17H13ClFN3O3S/c18-11-1-5-13(6-2-11)24-9-15(23)20-17-22-21-16(26-17)10-25-14-7-3-12(19)4-8-14/h1-8H,9-10H2,(H,20,22,23)
InChIKeyHORRQTYRNPHEDL-UHFFFAOYSA-N
XLogP3.93
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 3751659) is 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1nnc(COc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is HORRQTYRNPHEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S/c18-11-1-5-13(6-2-11)24-9-15(23)20-17-22-21-16(26-17)10-25-14-7-3-12(19)4-8-14/h1-8H,9-10H2,(H,20,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 393.83 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3751659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).