2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone

C15H18N2OS2 — CID 973052

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H18N2OS2/c1-11-6-8-17(9-7-11)14(18)10-19-15-16-12-4-2-3-5-13(12)20-15/h2-5,11H,6-10H2,1H3
InChIKeyHLGPUFKDFOYUIF-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.65
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 973052) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID973052
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CSc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H18N2OS2/c1-11-6-8-17(9-7-11)14(18)10-19-15-16-12-4-2-3-5-13(12)20-15/h2-5,11H,6-10H2,1H3
InChIKeyHLGPUFKDFOYUIF-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-Morpholino)thiobenzothiazole
CID 7619
2-(4-Morpholinyldithio)benzothiazole
CID 7231
2-Benzothiazolyl diethyldithiocarbamate
CID 7229
N,N-Diisopropyl-2-benzothiazolesulfenamide
CID 7228
1-(Benzthiazol-2-ylthio)-propan-2-one
CID 252398
2-(6-Aminobenzothiazol-2-ylthio)-1-morpholin-4-ylethan-1-one
CID 728689
2-(Piperidin-4-yl)-1,3-benzothiazole
CID 1477439
ST050344
CID 567790
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 755801
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(morpholin-4-yl)ethanone
CID 660098
2-Benzothiazolyl N,N-dimethylcarbamodithioate
CID 18914
N-(3-(benzo[d]thiazol-2-yl)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide hydrochloride
CID 16195022

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 973052) is 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CSc2nc3ccccc3s2)CC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is HLGPUFKDFOYUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-11-6-8-17(9-7-11)14(18)10-19-15-16-12-4-2-3-5-13(12)20-15/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 306.46 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 973052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).