5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

C12H9N3OS — CID 5492199

IUPAC5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)sc2cc1-c1ccncc1
InChIInChI=1S/C12H9N3OS/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)15-12(16)17-10/h2-6H,1H3,(H,14,15,16)
InChIKeyBYJYDMGTROTBTQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.36
Rot. Bonds1

About 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (PubChem CID 5492199) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
PubChem CID5492199
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)sc2cc1-c1ccncc1
InChIInChI=1S/C12H9N3OS/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)15-12(16)17-10/h2-6H,1H3,(H,14,15,16)
InChIKeyBYJYDMGTROTBTQ-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (CID 5492199) is 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is Cc1nc2[nH]c(=O)sc2cc1-c1ccncc1.
What is the InChIKey of 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The InChIKey is BYJYDMGTROTBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-7-9(8-2-4-13-5-3-8)6-10-11(14-7)15-12(16)17-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one has a molecular weight of 243.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-4-yl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 5492199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).