1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C11H16N2OS — CID 116572640

IUPAC1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2CNCC2C)cs1
InChIInChI=1S/C11H16N2OS/c1-7-4-12-5-10(7)11(14)3-9-6-15-8(2)13-9/h6-7,10,12H,3-5H2,1-2H3
InChIKeyHPLBDRJVCPZJJZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 116572640) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID116572640
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2CNCC2C)cs1
InChIInChI=1S/C11H16N2OS/c1-7-4-12-5-10(7)11(14)3-9-6-15-8(2)13-9/h6-7,10,12H,3-5H2,1-2H3
InChIKeyHPLBDRJVCPZJJZ-UHFFFAOYSA-N
XLogP1.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 98540715
1-(4-methylpyrrolidin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116572647
1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone
CID 116517016
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116586079
1-[4-(methylamino)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116561494
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 112680639
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
1-(2-methyl-1,3-thiazol-4-yl)-3-morpholin-2-ylpropan-2-one
CID 116586355

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 116572640) is 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)C2CNCC2C)cs1.
What is the InChIKey of 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is HPLBDRJVCPZJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-4-12-5-10(7)11(14)3-9-6-15-8(2)13-9/h6-7,10,12H,3-5H2,1-2H3.
What are the key properties of 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 224.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 116572640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).