1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one

C11H14N4O2S — CID 43733526

IUPAC1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
SMILESCOCCn1cc(NCc2csnn2)ccc1=O
InChIInChI=1S/C11H14N4O2S/c1-17-5-4-15-7-9(2-3-11(15)16)12-6-10-8-18-14-13-10/h2-3,7-8,12H,4-6H2,1H3
InChIKeyBXAVFEFNWNAQGF-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.96
Rot. Bonds6

About 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one

1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one (PubChem CID 43733526) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
PubChem CID43733526
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
SMILESCOCCn1cc(NCc2csnn2)ccc1=O
InChIInChI=1S/C11H14N4O2S/c1-17-5-4-15-7-9(2-3-11(15)16)12-6-10-8-18-14-13-10/h2-3,7-8,12H,4-6H2,1H3
InChIKeyBXAVFEFNWNAQGF-UHFFFAOYSA-N
XLogP0.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one (CID 43733526) is 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one is COCCn1cc(NCc2csnn2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The InChIKey is BXAVFEFNWNAQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-17-5-4-15-7-9(2-3-11(15)16)12-6-10-8-18-14-13-10/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one has a molecular weight of 266.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 43733526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).