2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide

C19H16ClN3O2S — CID 124743636

IUPAC2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESO=C(Cc1nc2ccccc2s1)N[C@@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C19H16ClN3O2S/c20-12-5-1-3-7-15(12)23-10-9-14(19(23)25)21-17(24)11-18-22-13-6-2-4-8-16(13)26-18/h1-8,14H,9-11H2,(H,21,24)/t14-/m1/s1
InChIKeyZBPSYVILGYKHAM-CQSZACIVSA-N
MW385.88 g/mol
LogP3.41
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide

2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 124743636) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID124743636
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESO=C(Cc1nc2ccccc2s1)N[C@@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C19H16ClN3O2S/c20-12-5-1-3-7-15(12)23-10-9-14(19(23)25)21-17(24)11-18-22-13-6-2-4-8-16(13)26-18/h1-8,14H,9-11H2,(H,21,24)/t14-/m1/s1
InChIKeyZBPSYVILGYKHAM-CQSZACIVSA-N
XLogP3.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 56787564
(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97000579
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95619997
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 71983569
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 96566498
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351
2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 79826120

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide (CID 124743636) is 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide is O=C(Cc1nc2ccccc2s1)N[C@@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is ZBPSYVILGYKHAM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-12-5-1-3-7-15(12)23-10-9-14(19(23)25)21-17(24)11-18-22-13-6-2-4-8-16(13)26-18/h1-8,14H,9-11H2,(H,21,24)/t14-/m1/s1.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide?
2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 385.88 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 124743636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).