2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide

C5H8N4OS — CID 82411866

IUPAC2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide
SMILESNCC(=O)NCc1ncns1
InChIInChI=1S/C5H8N4OS/c6-1-4(10)7-2-5-8-3-9-11-5/h3H,1-2,6H2,(H,7,10)
InChIKeyOONLYNYLUGSZDD-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.89
Rot. Bonds3

About 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide

2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide (PubChem CID 82411866) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide
PubChem CID82411866
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide
SMILESNCC(=O)NCc1ncns1
InChIInChI=1S/C5H8N4OS/c6-1-4(10)7-2-5-8-3-9-11-5/h3H,1-2,6H2,(H,7,10)
InChIKeyOONLYNYLUGSZDD-UHFFFAOYSA-N
XLogP-0.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide?
The IUPAC name of 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide (CID 82411866) is 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide is NCC(=O)NCc1ncns1.
What is the InChIKey of 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide?
The InChIKey is OONLYNYLUGSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c6-1-4(10)7-2-5-8-3-9-11-5/h3H,1-2,6H2,(H,7,10).
What are the key properties of 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide?
2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide has a molecular weight of 172.21 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,2,4-thiadiazol-5-ylmethyl)acetamide is sourced from PubChem (CID 82411866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).