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

C8H10N4OS — CID 164654247

IUPAC1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one
SMILESCc1nnc(Cn2ccn(C)c2=O)s1
InChIInChI=1S/C8H10N4OS/c1-6-9-10-7(14-6)5-12-4-3-11(2)8(12)13/h3-4H,5H2,1-2H3
InChIKeyBUMHEKSSURQHLU-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.40
Rot. Bonds2

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

1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one (PubChem CID 164654247) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one
PubChem CID164654247
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one
SMILESCc1nnc(Cn2ccn(C)c2=O)s1
InChIInChI=1S/C8H10N4OS/c1-6-9-10-7(14-6)5-12-4-3-11(2)8(12)13/h3-4H,5H2,1-2H3
InChIKeyBUMHEKSSURQHLU-UHFFFAOYSA-N
XLogP0.40
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one (CID 164654247) is 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one is Cc1nnc(Cn2ccn(C)c2=O)s1.
What is the InChIKey of 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one?
The InChIKey is BUMHEKSSURQHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-6-9-10-7(14-6)5-12-4-3-11(2)8(12)13/h3-4H,5H2,1-2H3.
What are the key properties of 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one?
1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one has a molecular weight of 210.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-one is sourced from PubChem (CID 164654247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).