2-(1,3-benzothiazol-6-yl)triazol-4-amine

C9H7N5S — CID 107806802

IUPAC2-(1,3-benzothiazol-6-yl)triazol-4-amine
SMILESNc1cnn(-c2ccc3ncsc3c2)n1
InChIInChI=1S/C9H7N5S/c10-9-4-12-14(13-9)6-1-2-7-8(3-6)15-5-11-7/h1-5H,(H2,10,13)
InChIKeyZOXGFYACHIXRHW-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.46
Rot. Bonds1

About 2-(1,3-benzothiazol-6-yl)triazol-4-amine

2-(1,3-benzothiazol-6-yl)triazol-4-amine (PubChem CID 107806802) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yl)triazol-4-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yl)triazol-4-amine
PubChem CID107806802
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name2-(1,3-benzothiazol-6-yl)triazol-4-amine
SMILESNc1cnn(-c2ccc3ncsc3c2)n1
InChIInChI=1S/C9H7N5S/c10-9-4-12-14(13-9)6-1-2-7-8(3-6)15-5-11-7/h1-5H,(H2,10,13)
InChIKeyZOXGFYACHIXRHW-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide
CID 112525789
1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
CID 107805987
3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine
CID 107805986
5-amino-2-(1,3-benzothiazol-6-yl)-4H-pyrazol-3-one
CID 96599066
4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride
CID 154921392
3-(1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridin-2-amine
CID 107805988
1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one
CID 59636228
1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
CID 59636211
1-(1,3-benzothiazol-6-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 107806439
2-[1-(1,3-benzothiazol-6-yl)tetrazol-5-yl]aniline
CID 107806544
2-(4-tert-butylphenyl)triazol-4-amine
CID 116799226

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yl)triazol-4-amine?
The IUPAC name of 2-(1,3-benzothiazol-6-yl)triazol-4-amine (CID 107806802) is 2-(1,3-benzothiazol-6-yl)triazol-4-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yl)triazol-4-amine?
The canonical SMILES for 2-(1,3-benzothiazol-6-yl)triazol-4-amine is Nc1cnn(-c2ccc3ncsc3c2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-6-yl)triazol-4-amine?
The InChIKey is ZOXGFYACHIXRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-9-4-12-14(13-9)6-1-2-7-8(3-6)15-5-11-7/h1-5H,(H2,10,13).
What are the key properties of 2-(1,3-benzothiazol-6-yl)triazol-4-amine?
2-(1,3-benzothiazol-6-yl)triazol-4-amine has a molecular weight of 217.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-yl)triazol-4-amine is sourced from PubChem (CID 107806802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).