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

C11H15N3S — CID 71458110

IUPAC5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole
SMILESC1CC1c1nsc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C11H15N3S/c1-2-7(1)10-12-11(15-13-10)9-6-14-4-3-8(9)5-14/h7-9H,1-6H2/t8?,9-/m1/s1
InChIKeyMWHKGPNUYCNZOX-YGPZHTELSA-N
MW221.33 g/mol
LogP1.83
Rot. Bonds2

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

5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 71458110) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID71458110
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole
SMILESC1CC1c1nsc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C11H15N3S/c1-2-7(1)10-12-11(15-13-10)9-6-14-4-3-8(9)5-14/h7-9H,1-6H2/t8?,9-/m1/s1
InChIKeyMWHKGPNUYCNZOX-YGPZHTELSA-N
XLogP1.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole (CID 71458110) is 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole is C1CC1c1nsc([C@@H]2CN3CCC2C3)n1.
What is the InChIKey of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is MWHKGPNUYCNZOX-YGPZHTELSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-7(1)10-12-11(15-13-10)9-6-14-4-3-8(9)5-14/h7-9H,1-6H2/t8?,9-/m1/s1.
What are the key properties of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole?
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 221.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 71458110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).