5-acetamidothiadiazole-4-carboxamide

C5H6N4O2S — CID 1499068

IUPAC5-acetamidothiadiazole-4-carboxamide
SMILESCC(=O)Nc1snnc1C(N)=O
InChIInChI=1S/C5H6N4O2S/c1-2(10)7-5-3(4(6)11)8-9-12-5/h1H3,(H2,6,11)(H,7,10)
InChIKeyFVVQPLOMBRSNKJ-UHFFFAOYSA-N
MW186.20 g/mol
LogP-0.40
Rot. Bonds2

About 5-acetamidothiadiazole-4-carboxamide

5-acetamidothiadiazole-4-carboxamide (PubChem CID 1499068) has the molecular formula C5H6N4O2S and a molecular weight of 186.20 g/mol. Its IUPAC name is 5-acetamidothiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-acetamidothiadiazole-4-carboxamide
PubChem CID1499068
Molecular FormulaC5H6N4O2S
Molecular Weight186.20 g/mol
Exact Mass186.02
IUPAC Name5-acetamidothiadiazole-4-carboxamide
SMILESCC(=O)Nc1snnc1C(N)=O
InChIInChI=1S/C5H6N4O2S/c1-2(10)7-5-3(4(6)11)8-9-12-5/h1H3,(H2,6,11)(H,7,10)
InChIKeyFVVQPLOMBRSNKJ-UHFFFAOYSA-N
XLogP-0.40
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamidothiadiazole-4-carboxamide?
The IUPAC name of 5-acetamidothiadiazole-4-carboxamide (CID 1499068) is 5-acetamidothiadiazole-4-carboxamide.
What is the SMILES notation for 5-acetamidothiadiazole-4-carboxamide?
The canonical SMILES for 5-acetamidothiadiazole-4-carboxamide is CC(=O)Nc1snnc1C(N)=O.
What is the InChIKey of 5-acetamidothiadiazole-4-carboxamide?
The InChIKey is FVVQPLOMBRSNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2S/c1-2(10)7-5-3(4(6)11)8-9-12-5/h1H3,(H2,6,11)(H,7,10).
What are the key properties of 5-acetamidothiadiazole-4-carboxamide?
5-acetamidothiadiazole-4-carboxamide has a molecular weight of 186.20 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamidothiadiazole-4-carboxamide is sourced from PubChem (CID 1499068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).