2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine

C8H12N4S — CID 82469235

IUPAC2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESCC(C)(C)c1nc2scc(N)n2n1
InChIInChI=1S/C8H12N4S/c1-8(2,3)6-10-7-12(11-6)5(9)4-13-7/h4H,9H2,1-3H3
InChIKeyCLUKHKFNDQNZNY-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.67
Rot. Bonds

About 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine

2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (PubChem CID 82469235) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.

Molecular Properties

Compound Name2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
PubChem CID82469235
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESCC(C)(C)c1nc2scc(N)n2n1
InChIInChI=1S/C8H12N4S/c1-8(2,3)6-10-7-12(11-6)5(9)4-13-7/h4H,9H2,1-3H3
InChIKeyCLUKHKFNDQNZNY-UHFFFAOYSA-N
XLogP1.67
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The IUPAC name of 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (CID 82469235) is 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.
What is the SMILES notation for 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The canonical SMILES for 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is CC(C)(C)c1nc2scc(N)n2n1.
What is the InChIKey of 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The InChIKey is CLUKHKFNDQNZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-8(2,3)6-10-7-12(11-6)5(9)4-13-7/h4H,9H2,1-3H3.
What are the key properties of 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine has a molecular weight of 196.28 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is sourced from PubChem (CID 82469235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).