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

C9H10N4OS — CID 80607892

IUPAC1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
SMILESCNc1nnc(Cn2ccccc2=O)s1
InChIInChI=1S/C9H10N4OS/c1-10-9-12-11-7(15-9)6-13-5-3-2-4-8(13)14/h2-5H,6H2,1H3,(H,10,12)
InChIKeyADCUDSSSDKMGNF-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.79
Rot. Bonds3

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

1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one (PubChem CID 80607892) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
PubChem CID80607892
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
SMILESCNc1nnc(Cn2ccccc2=O)s1
InChIInChI=1S/C9H10N4OS/c1-10-9-12-11-7(15-9)6-13-5-3-2-4-8(13)14/h2-5H,6H2,1H3,(H,10,12)
InChIKeyADCUDSSSDKMGNF-UHFFFAOYSA-N
XLogP0.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one (CID 80607892) is 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one is CNc1nnc(Cn2ccccc2=O)s1.
What is the InChIKey of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
The InChIKey is ADCUDSSSDKMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-10-9-12-11-7(15-9)6-13-5-3-2-4-8(13)14/h2-5H,6H2,1H3,(H,10,12).
What are the key properties of 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one?
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one has a molecular weight of 222.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 80607892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).