7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C18H21N3O2S — CID 45494824

IUPAC7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccccc1C1CC(=O)Nc2nc(N3CCCCC3)sc21
InChIInChI=1S/C18H21N3O2S/c1-23-14-8-4-3-7-12(14)13-11-15(22)19-17-16(13)24-18(20-17)21-9-5-2-6-10-21/h3-4,7-8,13H,2,5-6,9-11H2,1H3,(H,19,22)
InChIKeyHWYBOXOCNVDFPU-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.62
Rot. Bonds3

About 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 45494824) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID45494824
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccccc1C1CC(=O)Nc2nc(N3CCCCC3)sc21
InChIInChI=1S/C18H21N3O2S/c1-23-14-8-4-3-7-12(14)13-11-15(22)19-17-16(13)24-18(20-17)21-9-5-2-6-10-21/h3-4,7-8,13H,2,5-6,9-11H2,1H3,(H,19,22)
InChIKeyHWYBOXOCNVDFPU-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 45494824) is 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1ccccc1C1CC(=O)Nc2nc(N3CCCCC3)sc21.
What is the InChIKey of 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is HWYBOXOCNVDFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-23-14-8-4-3-7-12(14)13-11-15(22)19-17-16(13)24-18(20-17)21-9-5-2-6-10-21/h3-4,7-8,13H,2,5-6,9-11H2,1H3,(H,19,22).
What are the key properties of 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 343.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45494824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).