1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

C13H20N2O2S — CID 74247986

IUPAC1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCOC[C@H]1CCCN1C(=O)CCc1scnc1C
InChIInChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)5-6-13(16)15-7-3-4-11(15)8-17-2/h9,11H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyWUQLZFCTEUJPHL-LLVKDONJSA-N
MW268.38 g/mol
LogP2.02
Rot. Bonds5

About 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 74247986) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
PubChem CID74247986
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCOC[C@H]1CCCN1C(=O)CCc1scnc1C
InChIInChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)5-6-13(16)15-7-3-4-11(15)8-17-2/h9,11H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyWUQLZFCTEUJPHL-LLVKDONJSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one (CID 74247986) is 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is COC[C@H]1CCCN1C(=O)CCc1scnc1C.
What is the InChIKey of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is WUQLZFCTEUJPHL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-12(18-9-14-10)5-6-13(16)15-7-3-4-11(15)8-17-2/h9,11H,3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one?
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 268.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 74247986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).