1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone

C11H16N2OS — CID 82114961

IUPAC1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CN2CCCC2)nc1C
InChIInChI=1S/C11H16N2OS/c1-8-11(9(2)14)15-10(12-8)7-13-5-3-4-6-13/h3-7H2,1-2H3
InChIKeyYSXBTFMBMIHNPP-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82114961) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82114961
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CN2CCCC2)nc1C
InChIInChI=1S/C11H16N2OS/c1-8-11(9(2)14)15-10(12-8)7-13-5-3-4-6-13/h3-7H2,1-2H3
InChIKeyYSXBTFMBMIHNPP-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone (CID 82114961) is 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(CN2CCCC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is YSXBTFMBMIHNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-11(9(2)14)15-10(12-8)7-13-5-3-4-6-13/h3-7H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 224.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82114961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).