7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one

C11H13N3O2S — CID 82382524

IUPAC7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one
SMILESO=C1CCNC(c2cc3n(c(=O)n2)CCS3)C1
InChIInChI=1S/C11H13N3O2S/c15-7-1-2-12-8(5-7)9-6-10-14(3-4-17-10)11(16)13-9/h6,8,12H,1-5H2
InChIKeyKKGODKMZOAYFGX-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.34
Rot. Bonds1

About 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one

7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one (PubChem CID 82382524) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one
PubChem CID82382524
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one
SMILESO=C1CCNC(c2cc3n(c(=O)n2)CCS3)C1
InChIInChI=1S/C11H13N3O2S/c15-7-1-2-12-8(5-7)9-6-10-14(3-4-17-10)11(16)13-9/h6,8,12H,1-5H2
InChIKeyKKGODKMZOAYFGX-UHFFFAOYSA-N
XLogP0.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one?
The IUPAC name of 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one (CID 82382524) is 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one?
The canonical SMILES for 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one is O=C1CCNC(c2cc3n(c(=O)n2)CCS3)C1.
What is the InChIKey of 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one?
The InChIKey is KKGODKMZOAYFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-7-1-2-12-8(5-7)9-6-10-14(3-4-17-10)11(16)13-9/h6,8,12H,1-5H2.
What are the key properties of 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one?
7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one has a molecular weight of 251.31 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-oxopiperidin-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-c]pyrimidin-5-one is sourced from PubChem (CID 82382524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).