1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one

C9H13N5OS — CID 80583166

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one
SMILESCCNc1snnc1Cn1ccn(C)c1=O
InChIInChI=1S/C9H13N5OS/c1-3-10-8-7(11-12-16-8)6-14-5-4-13(2)9(14)15/h4-5,10H,3,6H2,1-2H3
InChIKeyJRDKAOMIHLCDAE-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.52
Rot. Bonds4

About 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one (PubChem CID 80583166) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one
PubChem CID80583166
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one
SMILESCCNc1snnc1Cn1ccn(C)c1=O
InChIInChI=1S/C9H13N5OS/c1-3-10-8-7(11-12-16-8)6-14-5-4-13(2)9(14)15/h4-5,10H,3,6H2,1-2H3
InChIKeyJRDKAOMIHLCDAE-UHFFFAOYSA-N
XLogP0.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one (CID 80583166) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one is CCNc1snnc1Cn1ccn(C)c1=O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one?
The InChIKey is JRDKAOMIHLCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-3-10-8-7(11-12-16-8)6-14-5-4-13(2)9(14)15/h4-5,10H,3,6H2,1-2H3.
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one has a molecular weight of 239.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80583166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).