6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one

C12H16N4OS — CID 62193451

IUPAC6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one
SMILESCCCNc1snnc1Cn1c(C)cccc1=O
InChIInChI=1S/C12H16N4OS/c1-3-7-13-12-10(14-15-18-12)8-16-9(2)5-4-6-11(16)17/h4-6,13H,3,7-8H2,1-2H3
InChIKeyOTOLJMTVYOFSBS-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.88
Rot. Bonds5

About 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one

6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one (PubChem CID 62193451) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one
PubChem CID62193451
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one
SMILESCCCNc1snnc1Cn1c(C)cccc1=O
InChIInChI=1S/C12H16N4OS/c1-3-7-13-12-10(14-15-18-12)8-16-9(2)5-4-6-11(16)17/h4-6,13H,3,7-8H2,1-2H3
InChIKeyOTOLJMTVYOFSBS-UHFFFAOYSA-N
XLogP1.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one (CID 62193451) is 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one is CCCNc1snnc1Cn1c(C)cccc1=O.
What is the InChIKey of 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one?
The InChIKey is OTOLJMTVYOFSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-7-13-12-10(14-15-18-12)8-16-9(2)5-4-6-11(16)17/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one?
6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyridin-2-one is sourced from PubChem (CID 62193451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).