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

C19H23N3O3S — CID 45492524

IUPAC2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCC(C)Oc1ccccc1C1CC(=O)Nc2nc(N3CCOCC3)sc21
InChIInChI=1S/C19H23N3O3S/c1-12(2)25-15-6-4-3-5-13(15)14-11-16(23)20-18-17(14)26-19(21-18)22-7-9-24-10-8-22/h3-6,12,14H,7-11H2,1-2H3,(H,20,23)
InChIKeyZAGXHWCKRNMVQP-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.24
Rot. Bonds4

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

2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 45492524) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID45492524
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCC(C)Oc1ccccc1C1CC(=O)Nc2nc(N3CCOCC3)sc21
InChIInChI=1S/C19H23N3O3S/c1-12(2)25-15-6-4-3-5-13(15)14-11-16(23)20-18-17(14)26-19(21-18)22-7-9-24-10-8-22/h3-6,12,14H,7-11H2,1-2H3,(H,20,23)
InChIKeyZAGXHWCKRNMVQP-UHFFFAOYSA-N
XLogP3.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 45492524) is 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is CC(C)Oc1ccccc1C1CC(=O)Nc2nc(N3CCOCC3)sc21.
What is the InChIKey of 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is ZAGXHWCKRNMVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12(2)25-15-6-4-3-5-13(15)14-11-16(23)20-18-17(14)26-19(21-18)22-7-9-24-10-8-22/h3-6,12,14H,7-11H2,1-2H3,(H,20,23).
What are the key properties of 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 373.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45492524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).