1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H16N4OS — CID 900714

IUPAC1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nc2ccccc2s1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H16N4OS/c22-17(16-19-13-5-1-2-6-14(13)23-16)21-11-9-20(10-12-21)15-7-3-4-8-18-15/h1-8H,9-12H2
InChIKeyGEOUZRZOLPSTCW-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.65
Rot. Bonds2

About 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 900714) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID900714
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nc2ccccc2s1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H16N4OS/c22-17(16-19-13-5-1-2-6-14(13)23-16)21-11-9-20(10-12-21)15-7-3-4-8-18-15/h1-8H,9-12H2
InChIKeyGEOUZRZOLPSTCW-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone 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 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 900714) is 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1nc2ccccc2s1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GEOUZRZOLPSTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-17(16-19-13-5-1-2-6-14(13)23-16)21-11-9-20(10-12-21)15-7-3-4-8-18-15/h1-8H,9-12H2.
What are the key properties of 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 324.41 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 900714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).