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

C18H21N3O4S — CID 45494631

IUPAC7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)c(OC)c1
InChIInChI=1S/C18H21N3O4S/c1-23-11-3-4-12(14(9-11)24-2)13-10-15(22)19-17-16(13)26-18(20-17)21-5-7-25-8-6-21/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyUMXSEOHSVUGGJD-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.47
Rot. Bonds4

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

7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 45494631) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID45494631
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)c(OC)c1
InChIInChI=1S/C18H21N3O4S/c1-23-11-3-4-12(14(9-11)24-2)13-10-15(22)19-17-16(13)26-18(20-17)21-5-7-25-8-6-21/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyUMXSEOHSVUGGJD-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-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 45494631) is 7-(2,4-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-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is COc1ccc(C2CC(=O)Nc3nc(N4CCOCC4)sc32)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is UMXSEOHSVUGGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-23-11-3-4-12(14(9-11)24-2)13-10-15(22)19-17-16(13)26-18(20-17)21-5-7-25-8-6-21/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of 7-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
7-(2,4-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-(2,4-dimethoxyphenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45494631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).