3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one

C9H12N2OS — CID 131059716

IUPAC3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one
SMILESCc1nc(C2CNC(=O)C2C)cs1
InChIInChI=1S/C9H12N2OS/c1-5-7(3-10-9(5)12)8-4-13-6(2)11-8/h4-5,7H,3H2,1-2H3,(H,10,12)
InChIKeyKVXFEWAFIMMRFN-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.30
Rot. Bonds1

About 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one

3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one (PubChem CID 131059716) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one
PubChem CID131059716
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one
SMILESCc1nc(C2CNC(=O)C2C)cs1
InChIInChI=1S/C9H12N2OS/c1-5-7(3-10-9(5)12)8-4-13-6(2)11-8/h4-5,7H,3H2,1-2H3,(H,10,12)
InChIKeyKVXFEWAFIMMRFN-UHFFFAOYSA-N
XLogP1.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperidine-2,6-dione
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(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
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(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-5-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 14305053
3-amino-4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
CID 83484969
(4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
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1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one (CID 131059716) is 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one is Cc1nc(C2CNC(=O)C2C)cs1.
What is the InChIKey of 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one?
The InChIKey is KVXFEWAFIMMRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-5-7(3-10-9(5)12)8-4-13-6(2)11-8/h4-5,7H,3H2,1-2H3,(H,10,12).
What are the key properties of 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one?
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one has a molecular weight of 196.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 131059716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).