N-hydroxythiadiazole-5-carboxamide

C3H3N3O2S — CID 135702361

IUPACN-hydroxythiadiazole-5-carboxamide
SMILESO=C(NO)c1cnns1
InChIInChI=1S/C3H3N3O2S/c7-3(5-8)2-1-4-6-9-2/h1,8H,(H,5,7)
InChIKeyLVAISXKBPDTJGC-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.34
Rot. Bonds1

About N-hydroxythiadiazole-5-carboxamide

N-hydroxythiadiazole-5-carboxamide (PubChem CID 135702361) has the molecular formula C3H3N3O2S and a molecular weight of 145.14 g/mol. Its IUPAC name is N-hydroxythiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxythiadiazole-5-carboxamide
PubChem CID135702361
Molecular FormulaC3H3N3O2S
Molecular Weight145.14 g/mol
Exact Mass144.99
IUPAC NameN-hydroxythiadiazole-5-carboxamide
SMILESO=C(NO)c1cnns1
InChIInChI=1S/C3H3N3O2S/c7-3(5-8)2-1-4-6-9-2/h1,8H,(H,5,7)
InChIKeyLVAISXKBPDTJGC-UHFFFAOYSA-N
XLogP-0.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxythiadiazole-5-carboxamide?
The IUPAC name of N-hydroxythiadiazole-5-carboxamide (CID 135702361) is N-hydroxythiadiazole-5-carboxamide.
What is the SMILES notation for N-hydroxythiadiazole-5-carboxamide?
The canonical SMILES for N-hydroxythiadiazole-5-carboxamide is O=C(NO)c1cnns1.
What is the InChIKey of N-hydroxythiadiazole-5-carboxamide?
The InChIKey is LVAISXKBPDTJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2S/c7-3(5-8)2-1-4-6-9-2/h1,8H,(H,5,7).
What are the key properties of N-hydroxythiadiazole-5-carboxamide?
N-hydroxythiadiazole-5-carboxamide has a molecular weight of 145.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxythiadiazole-5-carboxamide is sourced from PubChem (CID 135702361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).