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

C10H9N3OS — CID 852344

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C10H9N3OS/c1-7(14)11-10-12-9(13-15-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,13,14)
InChIKeyXIYDDBUZDPBBLE-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.16
Rot. Bonds2

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

N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 852344) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID852344
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C10H9N3OS/c1-7(14)11-10-12-9(13-15-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,13,14)
InChIKeyXIYDDBUZDPBBLE-UHFFFAOYSA-N
XLogP2.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (CID 852344) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is CC(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is XIYDDBUZDPBBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-7(14)11-10-12-9(13-15-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,13,14).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 219.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 852344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).