3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine

C15H23N5O2S — CID 129001161

IUPAC3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1noc(C(Nc2nc(C(C)(C)C)ns2)C2CCOCC2)n1
InChIInChI=1S/C15H23N5O2S/c1-9-16-12(22-19-9)11(10-5-7-21-8-6-10)17-14-18-13(20-23-14)15(2,3)4/h10-11H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyIRIPJMOGLAWPSN-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.11
Rot. Bonds4

About 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 129001161) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID129001161
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1noc(C(Nc2nc(C(C)(C)C)ns2)C2CCOCC2)n1
InChIInChI=1S/C15H23N5O2S/c1-9-16-12(22-19-9)11(10-5-7-21-8-6-10)17-14-18-13(20-23-14)15(2,3)4/h10-11H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyIRIPJMOGLAWPSN-UHFFFAOYSA-N
XLogP3.11
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 129001161) is 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1noc(C(Nc2nc(C(C)(C)C)ns2)C2CCOCC2)n1.
What is the InChIKey of 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IRIPJMOGLAWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-9-16-12(22-19-9)11(10-5-7-21-8-6-10)17-14-18-13(20-23-14)15(2,3)4/h10-11H,5-8H2,1-4H3,(H,17,18,20).
What are the key properties of 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 337.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 129001161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).