8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol

C12H17N3OS — CID 65274665

IUPAC8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1nc(C2CC2)ns1
InChIInChI=1S/C12H17N3OS/c16-10-5-8-3-4-9(6-10)15(8)12-13-11(14-17-12)7-1-2-7/h7-10,16H,1-6H2
InChIKeyFWSMEWZGEATKQY-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.91
Rot. Bonds2

About 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65274665) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65274665
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1nc(C2CC2)ns1
InChIInChI=1S/C12H17N3OS/c16-10-5-8-3-4-9(6-10)15(8)12-13-11(14-17-12)7-1-2-7/h7-10,16H,1-6H2
InChIKeyFWSMEWZGEATKQY-UHFFFAOYSA-N
XLogP1.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 65274665) is 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1nc(C2CC2)ns1.
What is the InChIKey of 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FWSMEWZGEATKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-10-5-8-3-4-9(6-10)15(8)12-13-11(14-17-12)7-1-2-7/h7-10,16H,1-6H2.
What are the key properties of 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65274665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).