1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one

C12H15N3O2S — CID 63655201

IUPAC1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one
SMILESCOCCn1cc(NCc2nccs2)ccc1=O
InChIInChI=1S/C12H15N3O2S/c1-17-6-5-15-9-10(2-3-12(15)16)14-8-11-13-4-7-18-11/h2-4,7,9,14H,5-6,8H2,1H3
InChIKeyKTFQHBGEUBUBPW-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.56
Rot. Bonds6

About 1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one

1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one (PubChem CID 63655201) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one
PubChem CID63655201
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one
SMILESCOCCn1cc(NCc2nccs2)ccc1=O
InChIInChI=1S/C12H15N3O2S/c1-17-6-5-15-9-10(2-3-12(15)16)14-8-11-13-4-7-18-11/h2-4,7,9,14H,5-6,8H2,1H3
InChIKeyKTFQHBGEUBUBPW-UHFFFAOYSA-N
XLogP1.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.56
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-(1,3-thiazol-2-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one (CID 63655201) is 1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one is COCCn1cc(NCc2nccs2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one?
The InChIKey is KTFQHBGEUBUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-17-6-5-15-9-10(2-3-12(15)16)14-8-11-13-4-7-18-11/h2-4,7,9,14H,5-6,8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one?
1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one has a molecular weight of 265.34 g/mol, XLogP of 1.56, 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-(1,3-thiazol-2-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 63655201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).