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

C17H19N3O3S — CID 45493989

IUPAC7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)cc1
InChIInChI=1S/C17H19N3O3S/c1-22-12-4-2-11(3-5-12)13-10-14(21)18-16-15(13)24-17(19-16)20-6-8-23-9-7-20/h2-5,13H,6-10H2,1H3,(H,18,21)
InChIKeyWINDBSWAPNXROW-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.46
Rot. Bonds3

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

7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 45493989) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID45493989
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)cc1
InChIInChI=1S/C17H19N3O3S/c1-22-12-4-2-11(3-5-12)13-10-14(21)18-16-15(13)24-17(19-16)20-6-8-23-9-7-20/h2-5,13H,6-10H2,1H3,(H,18,21)
InChIKeyWINDBSWAPNXROW-UHFFFAOYSA-N
XLogP2.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 45493989) is 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1ccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is WINDBSWAPNXROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-22-12-4-2-11(3-5-12)13-10-14(21)18-16-15(13)24-17(19-16)20-6-8-23-9-7-20/h2-5,13H,6-10H2,1H3,(H,18,21).
What are the key properties of 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 345.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45493989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).