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

C8H13N3OS — CID 80690243

IUPAC3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC1(c2nsc(N)n2)CCCCO1
InChIInChI=1S/C8H13N3OS/c1-8(4-2-3-5-12-8)6-10-7(9)13-11-6/h2-5H2,1H3,(H2,9,10,11)
InChIKeyPDLLWQQNAGVPER-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.54
Rot. Bonds1

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

3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 80690243) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID80690243
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC1(c2nsc(N)n2)CCCCO1
InChIInChI=1S/C8H13N3OS/c1-8(4-2-3-5-12-8)6-10-7(9)13-11-6/h2-5H2,1H3,(H2,9,10,11)
InChIKeyPDLLWQQNAGVPER-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine (CID 80690243) is 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine is CC1(c2nsc(N)n2)CCCCO1.
What is the InChIKey of 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PDLLWQQNAGVPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-8(4-2-3-5-12-8)6-10-7(9)13-11-6/h2-5H2,1H3,(H2,9,10,11).
What are the key properties of 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine?
3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80690243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).