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

C13H12N2S — CID 3006727

IUPAC2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole
SMILESCC1(c2ccccn2)Nc2ccccc2S1
InChIInChI=1S/C13H12N2S/c1-13(12-8-4-5-9-14-12)15-10-6-2-3-7-11(10)16-13/h2-9,15H,1H3
InChIKeyUYPVHDODKXJBQR-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.47
Rot. Bonds1

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

2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole (PubChem CID 3006727) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole
PubChem CID3006727
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole
SMILESCC1(c2ccccn2)Nc2ccccc2S1
InChIInChI=1S/C13H12N2S/c1-13(12-8-4-5-9-14-12)15-10-6-2-3-7-11(10)16-13/h2-9,15H,1H3
InChIKeyUYPVHDODKXJBQR-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The IUPAC name of 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole (CID 3006727) is 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The canonical SMILES for 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole is CC1(c2ccccn2)Nc2ccccc2S1.
What is the InChIKey of 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The InChIKey is UYPVHDODKXJBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-13(12-8-4-5-9-14-12)15-10-6-2-3-7-11(10)16-13/h2-9,15H,1H3.
What are the key properties of 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole has a molecular weight of 228.32 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyridin-2-yl-3H-1,3-benzothiazole is sourced from PubChem (CID 3006727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).