2-methyl-5-pyridin-3-yl-1,3-benzothiazole

C13H10N2S — CID 24879647

IUPAC2-methyl-5-pyridin-3-yl-1,3-benzothiazole
SMILESCc1nc2cc(-c3cccnc3)ccc2s1
InChIInChI=1S/C13H10N2S/c1-9-15-12-7-10(4-5-13(12)16-9)11-3-2-6-14-8-11/h2-8H,1H3
InChIKeyATKPTSYUMOKYCQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.67
Rot. Bonds1

About 2-methyl-5-pyridin-3-yl-1,3-benzothiazole

2-methyl-5-pyridin-3-yl-1,3-benzothiazole (PubChem CID 24879647) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methyl-5-pyridin-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-pyridin-3-yl-1,3-benzothiazole
PubChem CID24879647
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name2-methyl-5-pyridin-3-yl-1,3-benzothiazole
SMILESCc1nc2cc(-c3cccnc3)ccc2s1
InChIInChI=1S/C13H10N2S/c1-9-15-12-7-10(4-5-13(12)16-9)11-3-2-6-14-8-11/h2-8H,1H3
InChIKeyATKPTSYUMOKYCQ-UHFFFAOYSA-N
XLogP3.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-3-yl-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-pyridin-3-yl-1,3-benzothiazole (CID 24879647) is 2-methyl-5-pyridin-3-yl-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-pyridin-3-yl-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-pyridin-3-yl-1,3-benzothiazole is Cc1nc2cc(-c3cccnc3)ccc2s1.
What is the InChIKey of 2-methyl-5-pyridin-3-yl-1,3-benzothiazole?
The InChIKey is ATKPTSYUMOKYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-9-15-12-7-10(4-5-13(12)16-9)11-3-2-6-14-8-11/h2-8H,1H3.
What are the key properties of 2-methyl-5-pyridin-3-yl-1,3-benzothiazole?
2-methyl-5-pyridin-3-yl-1,3-benzothiazole has a molecular weight of 226.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-3-yl-1,3-benzothiazole is sourced from PubChem (CID 24879647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).