4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

C20H28N4O2S — CID 5309471

IUPAC4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(CC(=O)N3CCC(N4CCCCC4)CC3)sc2n1
InChIInChI=1S/C20H28N4O2S/c1-14-12-15(2)21-19-18(14)20(26)24(27-19)13-17(25)23-10-6-16(7-11-23)22-8-4-3-5-9-22/h12,16H,3-11,13H2,1-2H3
InChIKeyRZHFNSLEZMMOBV-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.55
Rot. Bonds3

About 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 5309471) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID5309471
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCc1cc(C)c2c(=O)n(CC(=O)N3CCC(N4CCCCC4)CC3)sc2n1
InChIInChI=1S/C20H28N4O2S/c1-14-12-15(2)21-19-18(14)20(26)24(27-19)13-17(25)23-10-6-16(7-11-23)22-8-4-3-5-9-22/h12,16H,3-11,13H2,1-2H3
InChIKeyRZHFNSLEZMMOBV-UHFFFAOYSA-N
XLogP2.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 5309471) is 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one is Cc1cc(C)c2c(=O)n(CC(=O)N3CCC(N4CCCCC4)CC3)sc2n1.
What is the InChIKey of 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is RZHFNSLEZMMOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14-12-15(2)21-19-18(14)20(26)24(27-19)13-17(25)23-10-6-16(7-11-23)22-8-4-3-5-9-22/h12,16H,3-11,13H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 388.54 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 5309471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).