3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H22FN3O2S — CID 155976686

IUPAC3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1C)C(CC(=O)N1CCCC(CF)C1)CS2
InChIInChI=1S/C16H22FN3O2S/c1-10-11(2)18-16-20(15(10)22)13(9-23-16)6-14(21)19-5-3-4-12(7-17)8-19/h12-13H,3-9H2,1-2H3
InChIKeyDEEMPKWXIRWHHH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.11
Rot. Bonds3

About 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 155976686) has the molecular formula C16H22FN3O2S and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID155976686
Molecular FormulaC16H22FN3O2S
Molecular Weight339.44 g/mol
Exact Mass339.14
IUPAC Name3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1C)C(CC(=O)N1CCCC(CF)C1)CS2
InChIInChI=1S/C16H22FN3O2S/c1-10-11(2)18-16-20(15(10)22)13(9-23-16)6-14(21)19-5-3-4-12(7-17)8-19/h12-13H,3-9H2,1-2H3
InChIKeyDEEMPKWXIRWHHH-UHFFFAOYSA-N
XLogP2.11
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 155976686) is 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1C)C(CC(=O)N1CCCC(CF)C1)CS2.
What is the InChIKey of 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DEEMPKWXIRWHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2S/c1-10-11(2)18-16-20(15(10)22)13(9-23-16)6-14(21)19-5-3-4-12(7-17)8-19/h12-13H,3-9H2,1-2H3.
What are the key properties of 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 339.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(fluoromethyl)piperidin-1-yl]-2-oxoethyl]-6,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 155976686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).