3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one

C13H10N2OS — CID 155914094

IUPAC3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one
SMILESCc1nc2cc(-c3ccc[nH]c3=O)ccc2s1
InChIInChI=1S/C13H10N2OS/c1-8-15-11-7-9(4-5-12(11)17-8)10-3-2-6-14-13(10)16/h2-7H,1H3,(H,14,16)
InChIKeyIATWPFZUWJFYDD-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.96
Rot. Bonds1

About 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one

3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one (PubChem CID 155914094) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one
PubChem CID155914094
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one
SMILESCc1nc2cc(-c3ccc[nH]c3=O)ccc2s1
InChIInChI=1S/C13H10N2OS/c1-8-15-11-7-9(4-5-12(11)17-8)10-3-2-6-14-13(10)16/h2-7H,1H3,(H,14,16)
InChIKeyIATWPFZUWJFYDD-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one (CID 155914094) is 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one is Cc1nc2cc(-c3ccc[nH]c3=O)ccc2s1.
What is the InChIKey of 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is IATWPFZUWJFYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8-15-11-7-9(4-5-12(11)17-8)10-3-2-6-14-13(10)16/h2-7H,1H3,(H,14,16).
What are the key properties of 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one?
3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 242.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 155914094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).