N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C8H13N3OS — CID 65276616

IUPACN-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCCO2)n1
InChIInChI=1S/C8H13N3OS/c1-2-4-12-7(3-1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11)
InChIKeyWVSNFSASTNMHFC-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.52
Rot. Bonds3

About N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine

N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276616) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65276616
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCCO2)n1
InChIInChI=1S/C8H13N3OS/c1-2-4-12-7(3-1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11)
InChIKeyWVSNFSASTNMHFC-UHFFFAOYSA-N
XLogP1.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65276616) is N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCC2CCCCO2)n1.
What is the InChIKey of N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WVSNFSASTNMHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-4-12-7(3-1)5-9-8-10-6-11-13-8/h6-7H,1-5H2,(H,9,10,11).
What are the key properties of N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).