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

C4H4ClN3OS — CID 3799800

IUPACN-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide
SMILESCC(=O)Nc1nsc(Cl)n1
InChIInChI=1S/C4H4ClN3OS/c1-2(9)6-4-7-3(5)10-8-4/h1H3,(H,6,8,9)
InChIKeyPOGPISFBCPDAIR-UHFFFAOYSA-N
MW177.62 g/mol
LogP1.15
Rot. Bonds1

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

N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide (PubChem CID 3799800) has the molecular formula C4H4ClN3OS and a molecular weight of 177.62 g/mol. Its IUPAC name is N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide
PubChem CID3799800
Molecular FormulaC4H4ClN3OS
Molecular Weight177.62 g/mol
Exact Mass176.98
IUPAC NameN-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide
SMILESCC(=O)Nc1nsc(Cl)n1
InChIInChI=1S/C4H4ClN3OS/c1-2(9)6-4-7-3(5)10-8-4/h1H3,(H,6,8,9)
InChIKeyPOGPISFBCPDAIR-UHFFFAOYSA-N
XLogP1.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.62
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide?
The IUPAC name of N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide (CID 3799800) is N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide is CC(=O)Nc1nsc(Cl)n1.
What is the InChIKey of N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide?
The InChIKey is POGPISFBCPDAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3OS/c1-2(9)6-4-7-3(5)10-8-4/h1H3,(H,6,8,9).
What are the key properties of N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide?
N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide has a molecular weight of 177.62 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,2,4-thiadiazol-3-yl)acetamide is sourced from PubChem (CID 3799800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).