5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one

C12H12N2OS — CID 132524174

IUPAC5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1c1nc2ccccc2s1
InChIInChI=1S/C12H12N2OS/c1-14-9(6-7-11(14)15)12-13-8-4-2-3-5-10(8)16-12/h2-5,9H,6-7H2,1H3
InChIKeyCEUUQPQNAJNIFE-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.59
Rot. Bonds1

About 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one

5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one (PubChem CID 132524174) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one
PubChem CID132524174
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1c1nc2ccccc2s1
InChIInChI=1S/C12H12N2OS/c1-14-9(6-7-11(14)15)12-13-8-4-2-3-5-10(8)16-12/h2-5,9H,6-7H2,1H3
InChIKeyCEUUQPQNAJNIFE-UHFFFAOYSA-N
XLogP2.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899
4-(1,3-benzothiazol-2-yl)-1-methyl-5-sulfanylidenepyrrolidin-2-one
CID 88599524
6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 38607968
(4R)-4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94090973
3-(1,3-benzothiazol-2-yl)cyclopentan-1-one
CID 164678956
bis[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 47087499
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 141271685
1-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-propylimidazolidine-2,4,5-trione
CID 18093302
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 51471043
butyl (2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carboxylate
CID 95724560
2-(1,3,3-trimethylpiperidin-4-yl)-1,3-benzothiazole
CID 169112728
1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylethyl]pyrrolidine-2,5-dione
CID 90480647

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one (CID 132524174) is 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one is CN1C(=O)CCC1c1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one?
The InChIKey is CEUUQPQNAJNIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-14-9(6-7-11(14)15)12-13-8-4-2-3-5-10(8)16-12/h2-5,9H,6-7H2,1H3.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one?
5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one has a molecular weight of 232.31 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 132524174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).