1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one

C13H20N2O2S — CID 138036924

IUPAC1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one
SMILESCOCC1(C)CCN(C(=O)CCc2cncs2)C1
InChIInChI=1S/C13H20N2O2S/c1-13(9-17-2)5-6-15(8-13)12(16)4-3-11-7-14-10-18-11/h7,10H,3-6,8-9H2,1-2H3
InChIKeyUTKZMDJDSVMXBT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.96
Rot. Bonds5

About 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one

1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one (PubChem CID 138036924) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one
PubChem CID138036924
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one
SMILESCOCC1(C)CCN(C(=O)CCc2cncs2)C1
InChIInChI=1S/C13H20N2O2S/c1-13(9-17-2)5-6-15(8-13)12(16)4-3-11-7-14-10-18-11/h7,10H,3-6,8-9H2,1-2H3
InChIKeyUTKZMDJDSVMXBT-UHFFFAOYSA-N
XLogP1.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one
CID 138036923
1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one
CID 146124213
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one;dihydrochloride
CID 120807012
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one;dihydrochloride
CID 120808866
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 120807749
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-[4-(2-methoxyethyl)phenoxy]butan-1-one
CID 120805451
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 120807583
1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 75500701
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 120808954
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 120809227
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120806649
1-[(3R)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96534653

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one (CID 138036924) is 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one is COCC1(C)CCN(C(=O)CCc2cncs2)C1.
What is the InChIKey of 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one?
The InChIKey is UTKZMDJDSVMXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(9-17-2)5-6-15(8-13)12(16)4-3-11-7-14-10-18-11/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one?
1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one has a molecular weight of 268.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 138036924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).