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

C10H16N4OS — CID 62207475

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one
SMILESNc1snnc1CN1CCCCCCC1=O
InChIInChI=1S/C10H16N4OS/c11-10-8(12-13-16-10)7-14-6-4-2-1-3-5-9(14)15/h1-7,11H2
InChIKeyRJYOBBIDLSYPQW-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.41
Rot. Bonds2

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

1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one (PubChem CID 62207475) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one
PubChem CID62207475
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one
SMILESNc1snnc1CN1CCCCCCC1=O
InChIInChI=1S/C10H16N4OS/c11-10-8(12-13-16-10)7-14-6-4-2-1-3-5-9(14)15/h1-7,11H2
InChIKeyRJYOBBIDLSYPQW-UHFFFAOYSA-N
XLogP1.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one (CID 62207475) is 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one is Nc1snnc1CN1CCCCCCC1=O.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one?
The InChIKey is RJYOBBIDLSYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-10-8(12-13-16-10)7-14-6-4-2-1-3-5-9(14)15/h1-7,11H2.
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one?
1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]azocan-2-one is sourced from PubChem (CID 62207475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).