5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole

C10H15N3S — CID 71454587

IUPAC5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc([C@H]2CN3CCC2C3)n1
InChIInChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyDBCPVPWTBWULAO-MQWKRIRWSA-N
MW209.32 g/mol
LogP1.52
Rot. Bonds2

About 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole

5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 71454587) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole
PubChem CID71454587
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc([C@H]2CN3CCC2C3)n1
InChIInChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyDBCPVPWTBWULAO-MQWKRIRWSA-N
XLogP1.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole (CID 71454587) is 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc([C@H]2CN3CCC2C3)n1.
What is the InChIKey of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is DBCPVPWTBWULAO-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-9-11-10(14-12-9)8-6-13-4-3-7(8)5-13/h7-8H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole?
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 209.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 71454587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).