7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H19N3O2S2 — CID 51168905

IUPAC7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C15H19N3O2S2/c1-11-2-4-17(5-3-11)14(20)10-21-9-12-8-13(19)18-6-7-22-15(18)16-12/h6-8,11H,2-5,9-10H2,1H3
InChIKeyKOTSAZVKNQQEBW-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.25
Rot. Bonds4

About 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51168905) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51168905
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C15H19N3O2S2/c1-11-2-4-17(5-3-11)14(20)10-21-9-12-8-13(19)18-6-7-22-15(18)16-12/h6-8,11H,2-5,9-10H2,1H3
InChIKeyKOTSAZVKNQQEBW-UHFFFAOYSA-N
XLogP2.25
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51168905) is 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KOTSAZVKNQQEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-2-4-17(5-3-11)14(20)10-21-9-12-8-13(19)18-6-7-22-15(18)16-12/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 337.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51168905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).