6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one

C12H16N4OS — CID 80608186

IUPAC6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
SMILESCCCNc1nnc(Cn2c(C)cccc2=O)s1
InChIInChI=1S/C12H16N4OS/c1-3-7-13-12-15-14-10(18-12)8-16-9(2)5-4-6-11(16)17/h4-6H,3,7-8H2,1-2H3,(H,13,15)
InChIKeyZJNRUHRMEDENSC-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.88
Rot. Bonds5

About 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one

6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one (PubChem CID 80608186) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
PubChem CID80608186
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
SMILESCCCNc1nnc(Cn2c(C)cccc2=O)s1
InChIInChI=1S/C12H16N4OS/c1-3-7-13-12-15-14-10(18-12)8-16-9(2)5-4-6-11(16)17/h4-6H,3,7-8H2,1-2H3,(H,13,15)
InChIKeyZJNRUHRMEDENSC-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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Related Compounds

6-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
CID 79774651
6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608637
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319879
4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3-dihydroquinoxalin-2-one
CID 80611120
5-bromo-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608469
1-methyl-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 80608371
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 80608105
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608986
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200
5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614565
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 80614789

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one (CID 80608186) is 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one is CCCNc1nnc(Cn2c(C)cccc2=O)s1.
What is the InChIKey of 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The InChIKey is ZJNRUHRMEDENSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-7-13-12-15-14-10(18-12)8-16-9(2)5-4-6-11(16)17/h4-6H,3,7-8H2,1-2H3,(H,13,15).
What are the key properties of 6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-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)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 80608186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).