5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine

C10H14N4OS2 — CID 43249713

IUPAC5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nnc(CSc2cnc(N)s2)o1
InChIInChI=1S/C10H14N4OS2/c1-10(2,3)8-14-13-6(15-8)5-16-7-4-12-9(11)17-7/h4H,5H2,1-3H3,(H2,11,12)
InChIKeyCUBYZEHRKRKKLZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.70
Rot. Bonds3

About 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine

5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43249713) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43249713
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nnc(CSc2cnc(N)s2)o1
InChIInChI=1S/C10H14N4OS2/c1-10(2,3)8-14-13-6(15-8)5-16-7-4-12-9(11)17-7/h4H,5H2,1-3H3,(H2,11,12)
InChIKeyCUBYZEHRKRKKLZ-UHFFFAOYSA-N
XLogP2.70
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 43249713) is 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine is CC(C)(C)c1nnc(CSc2cnc(N)s2)o1.
What is the InChIKey of 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is CUBYZEHRKRKKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-10(2,3)8-14-13-6(15-8)5-16-7-4-12-9(11)17-7/h4H,5H2,1-3H3,(H2,11,12).
What are the key properties of 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43249713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).