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

C8H11N5OS — CID 80583167

IUPAC1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
SMILESCNc1snnc1Cn1ccn(C)c1=O
InChIInChI=1S/C8H11N5OS/c1-9-7-6(10-11-15-7)5-13-4-3-12(2)8(13)14/h3-4,9H,5H2,1-2H3
InChIKeyHEOIABPTMOBODF-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.13
Rot. Bonds3

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

1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one (PubChem CID 80583167) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
PubChem CID80583167
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
SMILESCNc1snnc1Cn1ccn(C)c1=O
InChIInChI=1S/C8H11N5OS/c1-9-7-6(10-11-15-7)5-13-4-3-12(2)8(13)14/h3-4,9H,5H2,1-2H3
InChIKeyHEOIABPTMOBODF-UHFFFAOYSA-N
XLogP0.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one (CID 80583167) is 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one is CNc1snnc1Cn1ccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
The InChIKey is HEOIABPTMOBODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-9-7-6(10-11-15-7)5-13-4-3-12(2)8(13)14/h3-4,9H,5H2,1-2H3.
What are the key properties of 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one?
1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one has a molecular weight of 225.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one is sourced from PubChem (CID 80583167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).