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

C8H6N4S — CID 21392813

IUPAC[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
SMILESNc1nnc2sc3ccccc3n12
InChIInChI=1S/C8H6N4S/c9-7-10-11-8-12(7)5-3-1-2-4-6(5)13-8/h1-4H,(H2,9,10)
InChIKeyILYYHBWLPJIMLM-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.53
Rot. Bonds

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

[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine (PubChem CID 21392813) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
PubChem CID21392813
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
SMILESNc1nnc2sc3ccccc3n12
InChIInChI=1S/C8H6N4S/c9-7-10-11-8-12(7)5-3-1-2-4-6(5)13-8/h1-4H,(H2,9,10)
InChIKeyILYYHBWLPJIMLM-UHFFFAOYSA-N
XLogP1.53
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Guanidinobenzothiazole
CID 17415
Tetrazolo[5,1-b]benzothiazole
CID 346470
1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-amine
CID 2311153
7-Thia-2,4,5-triazatricyclo(6.4.0.0,2,6)dodeca-1(12),3,5,8,10-pentaene
CID 254568
3-(1,3-Benzothiazol-2-ylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
CID 2603763
Cyclopentanone 1,3-benzothiazol-2-ylhydrazone
CID 4309192
N,N-dimethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethanamine
CID 888955
2-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 2383579
2-(1-Pyrrolidinyl)benzothiazole
CID 10655812
7-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
CID 326023
7-Methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 13849190
7-Chloro[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 86240079

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The IUPAC name of [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine (CID 21392813) is [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The canonical SMILES for [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine is Nc1nnc2sc3ccccc3n12.
What is the InChIKey of [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
The InChIKey is ILYYHBWLPJIMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c9-7-10-11-8-12(7)5-3-1-2-4-6(5)13-8/h1-4H,(H2,9,10).
What are the key properties of [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine?
[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine has a molecular weight of 190.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 21392813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).