3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide

C5H7N3O2S — CID 67486244

IUPAC3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCOCc1nsc(C(N)=O)n1
InChIInChI=1S/C5H7N3O2S/c1-10-2-3-7-5(4(6)9)11-8-3/h2H2,1H3,(H2,6,9)
InChIKeySBRZWCUWKNATBQ-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.22
Rot. Bonds3

About 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide

3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 67486244) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID67486244
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCOCc1nsc(C(N)=O)n1
InChIInChI=1S/C5H7N3O2S/c1-10-2-3-7-5(4(6)9)11-8-3/h2H2,1H3,(H2,6,9)
InChIKeySBRZWCUWKNATBQ-UHFFFAOYSA-N
XLogP-0.22
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide (CID 67486244) is 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide is COCc1nsc(C(N)=O)n1.
What is the InChIKey of 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is SBRZWCUWKNATBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-10-2-3-7-5(4(6)9)11-8-3/h2H2,1H3,(H2,6,9).
What are the key properties of 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide?
3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 173.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 67486244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).