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

C18H21N3O4S — CID 45495323

IUPAC7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)c1OC
InChIInChI=1S/C18H21N3O4S/c1-23-13-5-3-4-11(15(13)24-2)12-10-14(22)19-17-16(12)26-18(20-17)21-6-8-25-9-7-21/h3-5,12H,6-10H2,1-2H3,(H,19,22)
InChIKeyWVWSTQWQUGANGT-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.47
Rot. Bonds4

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

7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 45495323) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID45495323
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)c1OC
InChIInChI=1S/C18H21N3O4S/c1-23-13-5-3-4-11(15(13)24-2)12-10-14(22)19-17-16(12)26-18(20-17)21-6-8-25-9-7-21/h3-5,12H,6-10H2,1-2H3,(H,19,22)
InChIKeyWVWSTQWQUGANGT-UHFFFAOYSA-N
XLogP2.47
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 45495323) is 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1cccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)c1OC.
What is the InChIKey of 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is WVWSTQWQUGANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-23-13-5-3-4-11(15(13)24-2)12-10-14(22)19-17-16(12)26-18(20-17)21-6-8-25-9-7-21/h3-5,12H,6-10H2,1-2H3,(H,19,22).
What are the key properties of 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 375.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45495323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).