8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine

C11H12N4S — CID 4131831

IUPAC8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
SMILESCC(C)c1cccc2sc3nnc(N)n3c12
InChIInChI=1S/C11H12N4S/c1-6(2)7-4-3-5-8-9(7)15-10(12)13-14-11(15)16-8/h3-6H,1-2H3,(H2,12,13)
InChIKeySQBJOGXQAVEJIR-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.65
Rot. Bonds1

About 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine

8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine (PubChem CID 4131831) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
PubChem CID4131831
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
SMILESCC(C)c1cccc2sc3nnc(N)n3c12
InChIInChI=1S/C11H12N4S/c1-6(2)7-4-3-5-8-9(7)15-10(12)13-14-11(15)16-8/h3-6H,1-2H3,(H2,12,13)
InChIKeySQBJOGXQAVEJIR-UHFFFAOYSA-N
XLogP2.65
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The IUPAC name of 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine (CID 4131831) is 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine is CC(C)c1cccc2sc3nnc(N)n3c12.
What is the InChIKey of 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The InChIKey is SQBJOGXQAVEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-6(2)7-4-3-5-8-9(7)15-10(12)13-14-11(15)16-8/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine has a molecular weight of 232.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 4131831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).