6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one

C12H15N3O2S — CID 20583208

IUPAC6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one
SMILESCc1c[nH]c2sc(CN3CCOCC3)nc2c1=O
InChIInChI=1S/C12H15N3O2S/c1-8-6-13-12-10(11(8)16)14-9(18-12)7-15-2-4-17-5-3-15/h6H,2-5,7H2,1H3,(H,13,16)
InChIKeyUZSXTIRTTGSGEQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.13
Rot. Bonds2

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

6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one (PubChem CID 20583208) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one
PubChem CID20583208
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one
SMILESCc1c[nH]c2sc(CN3CCOCC3)nc2c1=O
InChIInChI=1S/C12H15N3O2S/c1-8-6-13-12-10(11(8)16)14-9(18-12)7-15-2-4-17-5-3-15/h6H,2-5,7H2,1H3,(H,13,16)
InChIKeyUZSXTIRTTGSGEQ-UHFFFAOYSA-N
XLogP1.13
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one?
The IUPAC name of 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one (CID 20583208) is 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one.
What is the SMILES notation for 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one?
The canonical SMILES for 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one is Cc1c[nH]c2sc(CN3CCOCC3)nc2c1=O.
What is the InChIKey of 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one?
The InChIKey is UZSXTIRTTGSGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-6-13-12-10(11(8)16)14-9(18-12)7-15-2-4-17-5-3-15/h6H,2-5,7H2,1H3,(H,13,16).
What are the key properties of 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one?
6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one has a molecular weight of 265.34 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-b]pyridin-7-one is sourced from PubChem (CID 20583208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).