[4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine

C11H16N4OS2 — CID 66381492

IUPAC[4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCC(C)(C)SCc1noc(-c2csc(CN)n2)n1
InChIInChI=1S/C11H16N4OS2/c1-11(2,3)18-6-8-14-10(16-15-8)7-5-17-9(4-12)13-7/h5H,4,6,12H2,1-3H3
InChIKeyAQJHJNWAIXSLEQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.68
Rot. Bonds4

About [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine

[4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 66381492) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID66381492
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC Name[4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCC(C)(C)SCc1noc(-c2csc(CN)n2)n1
InChIInChI=1S/C11H16N4OS2/c1-11(2,3)18-6-8-14-10(16-15-8)7-5-17-9(4-12)13-7/h5H,4,6,12H2,1-3H3
InChIKeyAQJHJNWAIXSLEQ-UHFFFAOYSA-N
XLogP2.68
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 66381492) is [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is CC(C)(C)SCc1noc(-c2csc(CN)n2)n1.
What is the InChIKey of [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is AQJHJNWAIXSLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-11(2,3)18-6-8-14-10(16-15-8)7-5-17-9(4-12)13-7/h5H,4,6,12H2,1-3H3.
What are the key properties of [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66381492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).