2-(1-methylpyrazol-3-yl)-1,3-benzothiazole

C11H9N3S — CID 2740137

IUPAC2-(1-methylpyrazol-3-yl)-1,3-benzothiazole
SMILESCn1ccc(-c2nc3ccccc3s2)n1
InChIInChI=1S/C11H9N3S/c1-14-7-6-9(13-14)11-12-8-4-2-3-5-10(8)15-11/h2-7H,1H3
InChIKeyZTMHUKNKPQUPRP-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.70
Rot. Bonds1

About 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole

2-(1-methylpyrazol-3-yl)-1,3-benzothiazole (PubChem CID 2740137) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1,3-benzothiazole
PubChem CID2740137
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-(1-methylpyrazol-3-yl)-1,3-benzothiazole
SMILESCn1ccc(-c2nc3ccccc3s2)n1
InChIInChI=1S/C11H9N3S/c1-14-7-6-9(13-14)11-12-8-4-2-3-5-10(8)15-11/h2-7H,1H3
InChIKeyZTMHUKNKPQUPRP-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole (CID 2740137) is 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole is Cn1ccc(-c2nc3ccccc3s2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole?
The InChIKey is ZTMHUKNKPQUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-14-7-6-9(13-14)11-12-8-4-2-3-5-10(8)15-11/h2-7H,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole?
2-(1-methylpyrazol-3-yl)-1,3-benzothiazole has a molecular weight of 215.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 2740137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).