2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

C16H19N3O2S — CID 87025493

IUPAC2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(COC1CCCCC1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H19N3O2S/c20-14(11-21-13-9-5-2-6-10-13)17-16-18-15(19-22-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,18,19,20)
InChIKeyVSDOENJNCQQENZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.49
Rot. Bonds5

About 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 87025493) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID87025493
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(COC1CCCCC1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H19N3O2S/c20-14(11-21-13-9-5-2-6-10-13)17-16-18-15(19-22-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,18,19,20)
InChIKeyVSDOENJNCQQENZ-UHFFFAOYSA-N
XLogP3.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (CID 87025493) is 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is O=C(COC1CCCCC1)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is VSDOENJNCQQENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-14(11-21-13-9-5-2-6-10-13)17-16-18-15(19-22-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,18,19,20).
What are the key properties of 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 87025493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).