8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H22N4OS — CID 63770509

IUPAC8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNc1snnc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H22N4OS/c1-2-5-14-13-12(15-16-19-13)8-17-9-3-4-10(17)7-11(18)6-9/h9-11,14,18H,2-8H2,1H3
InChIKeyVGEQMKGSSRTANR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.85
Rot. Bonds5

About 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770509) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770509
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNc1snnc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H22N4OS/c1-2-5-14-13-12(15-16-19-13)8-17-9-3-4-10(17)7-11(18)6-9/h9-11,14,18H,2-8H2,1H3
InChIKeyVGEQMKGSSRTANR-UHFFFAOYSA-N
XLogP1.85
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63770509) is 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCNc1snnc1CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VGEQMKGSSRTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-5-14-13-12(15-16-19-13)8-17-9-3-4-10(17)7-11(18)6-9/h9-11,14,18H,2-8H2,1H3.
What are the key properties of 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 282.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).