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

C11H16N2OS — CID 116560953

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one
SMILESCc1nc(CC(=O)CC2CCCN2)cs1
InChIInChI=1S/C11H16N2OS/c1-8-13-10(7-15-8)6-11(14)5-9-3-2-4-12-9/h7,9,12H,2-6H2,1H3
InChIKeyXPUOESWZCYOWOK-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.71
Rot. Bonds4

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

1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one (PubChem CID 116560953) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one
PubChem CID116560953
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one
SMILESCc1nc(CC(=O)CC2CCCN2)cs1
InChIInChI=1S/C11H16N2OS/c1-8-13-10(7-15-8)6-11(14)5-9-3-2-4-12-9/h7,9,12H,2-6H2,1H3
InChIKeyXPUOESWZCYOWOK-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one (CID 116560953) is 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one is Cc1nc(CC(=O)CC2CCCN2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one?
The InChIKey is XPUOESWZCYOWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-13-10(7-15-8)6-11(14)5-9-3-2-4-12-9/h7,9,12H,2-6H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one?
1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 116560953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).