3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one

C13H11N3O2S — CID 146363840

IUPAC3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2nc3cccc(O)c3s2)c1=O
InChIInChI=1S/C13H11N3O2S/c14-8-3-2-6-16(13(8)18)7-11-15-9-4-1-5-10(17)12(9)19-11/h1-6,17H,7,14H2
InChIKeyRKJCPCFNEZZBFI-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.79
Rot. Bonds2

About 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one

3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one (PubChem CID 146363840) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one
PubChem CID146363840
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2nc3cccc(O)c3s2)c1=O
InChIInChI=1S/C13H11N3O2S/c14-8-3-2-6-16(13(8)18)7-11-15-9-4-1-5-10(17)12(9)19-11/h1-6,17H,7,14H2
InChIKeyRKJCPCFNEZZBFI-UHFFFAOYSA-N
XLogP1.79
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one (CID 146363840) is 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one is Nc1cccn(Cc2nc3cccc(O)c3s2)c1=O.
What is the InChIKey of 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is RKJCPCFNEZZBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-8-3-2-6-16(13(8)18)7-11-15-9-4-1-5-10(17)12(9)19-11/h1-6,17H,7,14H2.
What are the key properties of 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one?
3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 273.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 146363840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).