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

C8H13N3OS — CID 126980389

IUPAC3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine
SMILESCc1nsc(C2(N)CCCOC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-10-7(13-11-6)8(9)3-2-4-12-5-8/h2-5,9H2,1H3
InChIKeyUFSZMOGHRHELGN-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.81
Rot. Bonds1

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

3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine (PubChem CID 126980389) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine
PubChem CID126980389
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine
SMILESCc1nsc(C2(N)CCCOC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-10-7(13-11-6)8(9)3-2-4-12-5-8/h2-5,9H2,1H3
InChIKeyUFSZMOGHRHELGN-UHFFFAOYSA-N
XLogP0.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine?
The IUPAC name of 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine (CID 126980389) is 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine is Cc1nsc(C2(N)CCCOC2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine?
The InChIKey is UFSZMOGHRHELGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-10-7(13-11-6)8(9)3-2-4-12-5-8/h2-5,9H2,1H3.
What are the key properties of 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine?
3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine has a molecular weight of 199.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-thiadiazol-5-yl)oxan-3-amine is sourced from PubChem (CID 126980389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).