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

C10H17N3OS — CID 65334744

IUPAC3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CCOCC2)ns1
InChIInChI=1S/C10H17N3OS/c1-2-5-11-10-12-9(13-15-10)8-3-6-14-7-4-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyZPHKAEVGHCJWSF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.25
Rot. Bonds4

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

3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65334744) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65334744
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CCOCC2)ns1
InChIInChI=1S/C10H17N3OS/c1-2-5-11-10-12-9(13-15-10)8-3-6-14-7-4-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyZPHKAEVGHCJWSF-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65334744) is 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(C2CCOCC2)ns1.
What is the InChIKey of 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZPHKAEVGHCJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-5-11-10-12-9(13-15-10)8-3-6-14-7-4-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65334744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).