1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone

C13H20N2OS — CID 86768821

IUPAC1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
SMILESCCc1nc(CC(=O)N2CCCC2(C)C)cs1
InChIInChI=1S/C13H20N2OS/c1-4-11-14-10(9-17-11)8-12(16)15-7-5-6-13(15,2)3/h9H,4-8H2,1-3H3
InChIKeyAEPMIBPETJZUAO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.65
Rot. Bonds3

About 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone

1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone (PubChem CID 86768821) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
PubChem CID86768821
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
SMILESCCc1nc(CC(=O)N2CCCC2(C)C)cs1
InChIInChI=1S/C13H20N2OS/c1-4-11-14-10(9-17-11)8-12(16)15-7-5-6-13(15,2)3/h9H,4-8H2,1-3H3
InChIKeyAEPMIBPETJZUAO-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone (CID 86768821) is 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone is CCc1nc(CC(=O)N2CCCC2(C)C)cs1.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is AEPMIBPETJZUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-11-14-10(9-17-11)8-12(16)15-7-5-6-13(15,2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 86768821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).