1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one

C9H13N5OS — CID 80583210

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2nnsc2N)c1=O
InChIInChI=1S/C9H13N5OS/c1-2-3-13-4-5-14(9(13)15)6-7-8(10)16-12-11-7/h4-5H,2-3,6,10H2,1H3
InChIKeyGDUAGUHOIJGIDH-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.54
Rot. Bonds4

About 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one

1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one (PubChem CID 80583210) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one
PubChem CID80583210
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2nnsc2N)c1=O
InChIInChI=1S/C9H13N5OS/c1-2-3-13-4-5-14(9(13)15)6-7-8(10)16-12-11-7/h4-5H,2-3,6,10H2,1H3
InChIKeyGDUAGUHOIJGIDH-UHFFFAOYSA-N
XLogP0.54
TPSA78.73 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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one (CID 80583210) is 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2nnsc2N)c1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one?
The InChIKey is GDUAGUHOIJGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-2-3-13-4-5-14(9(13)15)6-7-8(10)16-12-11-7/h4-5H,2-3,6,10H2,1H3.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one?
1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one has a molecular weight of 239.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80583210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).