2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one

C14H11N3OS — CID 59750321

IUPAC2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
SMILESNCc1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C14H11N3OS/c15-8-9-4-3-6-11(16-9)14-17-13(18)10-5-1-2-7-12(10)19-14/h1-7H,8,15H2
InChIKeyZECFFIJENNPZDN-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.18
Rot. Bonds2

About 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one

2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one (PubChem CID 59750321) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
PubChem CID59750321
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
SMILESNCc1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C14H11N3OS/c15-8-9-4-3-6-11(16-9)14-17-13(18)10-5-1-2-7-12(10)19-14/h1-7H,8,15H2
InChIKeyZECFFIJENNPZDN-UHFFFAOYSA-N
XLogP2.18
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one?
The IUPAC name of 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one (CID 59750321) is 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one?
The canonical SMILES for 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one is NCc1cccc(-c2nc(=O)c3ccccc3s2)n1.
What is the InChIKey of 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one?
The InChIKey is ZECFFIJENNPZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-8-9-4-3-6-11(16-9)14-17-13(18)10-5-1-2-7-12(10)19-14/h1-7H,8,15H2.
What are the key properties of 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one?
2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one has a molecular weight of 269.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-2-pyridinyl]-1,3-benzothiazin-4-one is sourced from PubChem (CID 59750321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).