1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone

C11H16N2OS — CID 115090032

IUPAC1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CC2CCN(C)C2)s1
InChIInChI=1S/C11H16N2OS/c1-8(14)10-6-12-11(15-10)5-9-3-4-13(2)7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyZLMKJWFOEAUBMX-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone

1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 115090032) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone
PubChem CID115090032
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(CC2CCN(C)C2)s1
InChIInChI=1S/C11H16N2OS/c1-8(14)10-6-12-11(15-10)5-9-3-4-13(2)7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyZLMKJWFOEAUBMX-UHFFFAOYSA-N
XLogP1.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090768
3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 115090322
1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115090064
1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone
CID 79666290
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 136571997
methyl 2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxylate
CID 170950850
1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 171594182
methyl 2-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxylate
CID 170950840
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091086
2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 115090145
1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
CID 62756912
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone (CID 115090032) is 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(CC2CCN(C)C2)s1.
What is the InChIKey of 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is ZLMKJWFOEAUBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(14)10-6-12-11(15-10)5-9-3-4-13(2)7-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone?
1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 224.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 115090032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).