3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine

C8H13N3OS — CID 65267466

IUPAC3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCCOC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-9-8(13-11-6)10-7-3-2-4-12-5-7/h7H,2-5H2,1H3,(H,9,10,11)
InChIKeyFORPSACUKUPZDO-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.44
Rot. Bonds2

About 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267466) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65267466
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCCOC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-9-8(13-11-6)10-7-3-2-4-12-5-7/h7H,2-5H2,1H3,(H,9,10,11)
InChIKeyFORPSACUKUPZDO-UHFFFAOYSA-N
XLogP1.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine (CID 65267466) is 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCCOC2)n1.
What is the InChIKey of 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FORPSACUKUPZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-9-8(13-11-6)10-7-3-2-4-12-5-7/h7H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).