6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H17N3O3S — CID 126470244

IUPAC6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOCC1CCCN1C(=O)c1cnc2sc(C)cn2c1=O
InChIInChI=1S/C14H17N3O3S/c1-9-7-17-13(19)11(6-15-14(17)21-9)12(18)16-5-3-4-10(16)8-20-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyLFSUQDJMKWVGMC-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.32
Rot. Bonds3

About 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 126470244) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID126470244
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOCC1CCCN1C(=O)c1cnc2sc(C)cn2c1=O
InChIInChI=1S/C14H17N3O3S/c1-9-7-17-13(19)11(6-15-14(17)21-9)12(18)16-5-3-4-10(16)8-20-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyLFSUQDJMKWVGMC-UHFFFAOYSA-N
XLogP1.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 126470244) is 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COCC1CCCN1C(=O)c1cnc2sc(C)cn2c1=O.
What is the InChIKey of 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LFSUQDJMKWVGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-7-17-13(19)11(6-15-14(17)21-9)12(18)16-5-3-4-10(16)8-20-2/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 307.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 126470244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).