(2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H25N5OS — CID 5308255

IUPAC(2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H25N5OS/c28-21(26-14-12-25(13-15-26)20-6-2-3-9-23-20)17-7-8-18-19(16-17)29-22(24-18)27-10-4-1-5-11-27/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyWWXGUANLVAIXOE-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.64
Rot. Bonds3

About (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 5308255) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID5308255
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name(2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H25N5OS/c28-21(26-14-12-25(13-15-26)20-6-2-3-9-23-20)17-7-8-18-19(16-17)29-22(24-18)27-10-4-1-5-11-27/h2-3,6-9,16H,1,4-5,10-15H2
InChIKeyWWXGUANLVAIXOE-UHFFFAOYSA-N
XLogP3.64
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-piperidin-1-yl-1,3-benzothiazol-6-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 (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 5308255) is (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WWXGUANLVAIXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c28-21(26-14-12-25(13-15-26)20-6-2-3-9-23-20)17-7-8-18-19(16-17)29-22(24-18)27-10-4-1-5-11-27/h2-3,6-9,16H,1,4-5,10-15H2.
What are the key properties of (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 407.54 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-yl-1,3-benzothiazol-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 5308255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).