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

C11H19N3OS — CID 65274328

IUPACN-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC2CCOCC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-8-9-4-6-15-7-5-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyKYGYBQFMXKSVPT-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.33
Rot. Bonds5

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

N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65274328) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65274328
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC2CCOCC2)n1
InChIInChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-8-9-4-6-15-7-5-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyKYGYBQFMXKSVPT-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 65274328) is N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCC2CCOCC2)n1.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KYGYBQFMXKSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-8-9-4-6-15-7-5-9/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).