5-(methoxymethyl)-1,2,4-thiadiazol-3-amine

C4H7N3OS — CID 64545273

IUPAC5-(methoxymethyl)-1,2,4-thiadiazol-3-amine
SMILESCOCc1nc(N)ns1
InChIInChI=1S/C4H7N3OS/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3,(H2,5,7)
InChIKeyZXOUTTLBMAPAEO-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.27
Rot. Bonds2

About 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine

5-(methoxymethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64545273) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2,4-thiadiazol-3-amine
PubChem CID64545273
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name5-(methoxymethyl)-1,2,4-thiadiazol-3-amine
SMILESCOCc1nc(N)ns1
InChIInChI=1S/C4H7N3OS/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3,(H2,5,7)
InChIKeyZXOUTTLBMAPAEO-UHFFFAOYSA-N
XLogP0.27
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine (CID 64545273) is 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine is COCc1nc(N)ns1.
What is the InChIKey of 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is ZXOUTTLBMAPAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-8-2-3-6-4(5)7-9-3/h2H2,1H3,(H2,5,7).
What are the key properties of 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine?
5-(methoxymethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 145.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64545273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).