6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine

C12H10N4S — CID 170567486

IUPAC6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(-c2ccc3nc(N)sc3c2)nn1
InChIInChI=1S/C12H10N4S/c1-7-2-4-9(16-15-7)8-3-5-10-11(6-8)17-12(13)14-10/h2-6H,1H3,(H2,13,14)
InChIKeyNYXYHSPGLWTGKW-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.64
Rot. Bonds1

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

6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 170567486) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
PubChem CID170567486
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(-c2ccc3nc(N)sc3c2)nn1
InChIInChI=1S/C12H10N4S/c1-7-2-4-9(16-15-7)8-3-5-10-11(6-8)17-12(13)14-10/h2-6H,1H3,(H2,13,14)
InChIKeyNYXYHSPGLWTGKW-UHFFFAOYSA-N
XLogP2.64
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine (CID 170567486) is 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine is Cc1ccc(-c2ccc3nc(N)sc3c2)nn1.
What is the InChIKey of 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is NYXYHSPGLWTGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-7-2-4-9(16-15-7)8-3-5-10-11(6-8)17-12(13)14-10/h2-6H,1H3,(H2,13,14).
What are the key properties of 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine?
6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 242.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 170567486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).