3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole

C13H12N2S — CID 3006723

IUPAC3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole
SMILESCN1c2ccccc2SC1c1ccccn1
InChIInChI=1S/C13H12N2S/c1-15-11-7-2-3-8-12(11)16-13(15)10-6-4-5-9-14-10/h2-9,13H,1H3
InChIKeyBBRBNLHYCJVVFW-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.32
Rot. Bonds1

About 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole

3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole (PubChem CID 3006723) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole.

Molecular Properties

Compound Name3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole
PubChem CID3006723
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole
SMILESCN1c2ccccc2SC1c1ccccn1
InChIInChI=1S/C13H12N2S/c1-15-11-7-2-3-8-12(11)16-13(15)10-6-4-5-9-14-10/h2-9,13H,1H3
InChIKeyBBRBNLHYCJVVFW-UHFFFAOYSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole?
The IUPAC name of 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole (CID 3006723) is 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole.
What is the SMILES notation for 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole?
The canonical SMILES for 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole is CN1c2ccccc2SC1c1ccccn1.
What is the InChIKey of 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole?
The InChIKey is BBRBNLHYCJVVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-15-11-7-2-3-8-12(11)16-13(15)10-6-4-5-9-14-10/h2-9,13H,1H3.
What are the key properties of 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole?
3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole has a molecular weight of 228.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridin-2-yl-2H-1,3-benzothiazole is sourced from PubChem (CID 3006723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).