1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one

C13H17N3O2S — CID 54868560

IUPAC1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
SMILESCOCCn1cc(NCc2cnc(C)s2)ccc1=O
InChIInChI=1S/C13H17N3O2S/c1-10-14-7-12(19-10)8-15-11-3-4-13(17)16(9-11)5-6-18-2/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyZOVLUJMYIVECDS-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.87
Rot. Bonds6

About 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one

1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one (PubChem CID 54868560) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
PubChem CID54868560
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
SMILESCOCCn1cc(NCc2cnc(C)s2)ccc1=O
InChIInChI=1S/C13H17N3O2S/c1-10-14-7-12(19-10)8-15-11-3-4-13(17)16(9-11)5-6-18-2/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyZOVLUJMYIVECDS-UHFFFAOYSA-N
XLogP1.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one (CID 54868560) is 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one is COCCn1cc(NCc2cnc(C)s2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one?
The InChIKey is ZOVLUJMYIVECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-14-7-12(19-10)8-15-11-3-4-13(17)16(9-11)5-6-18-2/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one?
1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one has a molecular weight of 279.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 54868560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).