6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one

Name: 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₀N₂O₂S — CID 11792320

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one

SMILESO=C(c1ccccc1)c1ccc2c(c1)sc(=O)n2CCN1CCCC1

InChIInChI=1S/C20H20N2O2S/c23-19(15-6-2-1-3-7-15)16-8-9-17-18(14-16)25-20(24)22(17)13-12-21-10-4-5-11-21/h1-3,6-9,14H,4-5,10-13H2

InChIKeyXECMJAXOJJUDRA-UHFFFAOYSA-N

MW352.46 g/mol

LogP3.39

Rot. Bonds5

About 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one

6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one (PubChem CID 11792320) has the molecular formula C₂₀H₂₀N₂O₂S and a molecular weight of 352.46 g/mol. Its IUPAC name is 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name	6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one
PubChem CID	11792320
Molecular Formula	C₂₀H₂₀N₂O₂S
Molecular Weight	352.46 g/mol
Exact Mass	352.12
IUPAC Name	6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one
SMILES	O=C(c1ccccc1)c1ccc2c(c1)sc(=O)n2CCN1CCCC1
InChI	InChI=1S/C20H20N2O2S/c23-19(15-6-2-1-3-7-15)16-8-9-17-18(14-16)25-20(24)22(17)13-12-21-10-4-5-11-21/h1-3,6-9,14H,4-5,10-13H2
InChIKey	XECMJAXOJJUDRA-UHFFFAOYSA-N
XLogP	3.39
TPSA	42.31 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.46
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one?

The IUPAC name of 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one (CID 11792320) is 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one.

What is the SMILES notation for 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one?

The canonical SMILES for 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one is O=C(c1ccccc1)c1ccc2c(c1)sc(=O)n2CCN1CCCC1.

What is the InChIKey of 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one?

The InChIKey is XECMJAXOJJUDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-19(15-6-2-1-3-7-15)16-8-9-17-18(14-16)25-20(24)22(17)13-12-21-10-4-5-11-21/h1-3,6-9,14H,4-5,10-13H2.

What are the key properties of 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one?

6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one has a molecular weight of 352.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzoyl-3-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 11792320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 11792320 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.