N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C11H19N3OS — CID 65268497

IUPACN-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(CC2CCCO2)ns1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)7-8-5-4-6-15-8/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyUYYKTMXGCXPUHY-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.47
Rot. Bonds3

About N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268497) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268497
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(CC2CCCO2)ns1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)7-8-5-4-6-15-8/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyUYYKTMXGCXPUHY-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268497) is N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is CC(C)(C)Nc1nc(CC2CCCO2)ns1.
What is the InChIKey of N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UYYKTMXGCXPUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)7-8-5-4-6-15-8/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).