N-methoxythiadiazole-5-carboxamide

C4H5N3O2S — CID 45084532

IUPACN-methoxythiadiazole-5-carboxamide
SMILESCONC(=O)c1cnns1
InChIInChI=1S/C4H5N3O2S/c1-9-6-4(8)3-2-5-7-10-3/h2H,1H3,(H,6,8)
InChIKeyZWYVXKOUSGIPAP-UHFFFAOYSA-N
MW159.17 g/mol
LogP-0.17
Rot. Bonds2

About N-methoxythiadiazole-5-carboxamide

N-methoxythiadiazole-5-carboxamide (PubChem CID 45084532) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is N-methoxythiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxythiadiazole-5-carboxamide
PubChem CID45084532
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC NameN-methoxythiadiazole-5-carboxamide
SMILESCONC(=O)c1cnns1
InChIInChI=1S/C4H5N3O2S/c1-9-6-4(8)3-2-5-7-10-3/h2H,1H3,(H,6,8)
InChIKeyZWYVXKOUSGIPAP-UHFFFAOYSA-N
XLogP-0.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxythiadiazole-5-carboxamide?
The IUPAC name of N-methoxythiadiazole-5-carboxamide (CID 45084532) is N-methoxythiadiazole-5-carboxamide.
What is the SMILES notation for N-methoxythiadiazole-5-carboxamide?
The canonical SMILES for N-methoxythiadiazole-5-carboxamide is CONC(=O)c1cnns1.
What is the InChIKey of N-methoxythiadiazole-5-carboxamide?
The InChIKey is ZWYVXKOUSGIPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c1-9-6-4(8)3-2-5-7-10-3/h2H,1H3,(H,6,8).
What are the key properties of N-methoxythiadiazole-5-carboxamide?
N-methoxythiadiazole-5-carboxamide has a molecular weight of 159.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxythiadiazole-5-carboxamide is sourced from PubChem (CID 45084532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).