2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone

C9H10ClN3OS — CID 80619310

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone
SMILESO=C(c1nnc(Cl)s1)N1CC2CCC1C2
InChIInChI=1S/C9H10ClN3OS/c10-9-12-11-7(15-9)8(14)13-4-5-1-2-6(13)3-5/h5-6H,1-4H2
InChIKeyCVYFLJZCYNKSEN-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.82
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone (PubChem CID 80619310) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone
PubChem CID80619310
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone
SMILESO=C(c1nnc(Cl)s1)N1CC2CCC1C2
InChIInChI=1S/C9H10ClN3OS/c10-9-12-11-7(15-9)8(14)13-4-5-1-2-6(13)3-5/h5-6H,1-4H2
InChIKeyCVYFLJZCYNKSEN-UHFFFAOYSA-N
XLogP1.82
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone (CID 80619310) is 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone is O=C(c1nnc(Cl)s1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone?
The InChIKey is CVYFLJZCYNKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-9-12-11-7(15-9)8(14)13-4-5-1-2-6(13)3-5/h5-6H,1-4H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone has a molecular weight of 243.72 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone is sourced from PubChem (CID 80619310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).