2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one

C12H10N2OS — CID 64975759

IUPAC2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(-c3cccnc3)nc21
InChIInChI=1S/C12H10N2OS/c15-9-4-1-5-10-11(9)14-12(16-10)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2
InChIKeyKOAUDMKOQBIYBG-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.72
Rot. Bonds1

About 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64975759) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64975759
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(-c3cccnc3)nc21
InChIInChI=1S/C12H10N2OS/c15-9-4-1-5-10-11(9)14-12(16-10)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2
InChIKeyKOAUDMKOQBIYBG-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-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 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64975759) is 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one is O=C1CCCc2sc(-c3cccnc3)nc21.
What is the InChIKey of 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is KOAUDMKOQBIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-9-4-1-5-10-11(9)14-12(16-10)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2.
What are the key properties of 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 230.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64975759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).