(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone

C10H12ClN3OS — CID 65215593

IUPAC(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C10H12ClN3OS/c11-6-3-7-1-2-8(4-6)14(7)10(15)9-5-12-13-16-9/h5-8H,1-4H2
InChIKeyAOBFHAAWJOWPHB-UHFFFAOYSA-N
MW257.75 g/mol
LogP1.91
Rot. Bonds1

About (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone

(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone (PubChem CID 65215593) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone
PubChem CID65215593
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C10H12ClN3OS/c11-6-3-7-1-2-8(4-6)14(7)10(15)9-5-12-13-16-9/h5-8H,1-4H2
InChIKeyAOBFHAAWJOWPHB-UHFFFAOYSA-N
XLogP1.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone (CID 65215593) is (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1C2CCC1CC(Cl)C2.
What is the InChIKey of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is AOBFHAAWJOWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c11-6-3-7-1-2-8(4-6)14(7)10(15)9-5-12-13-16-9/h5-8H,1-4H2.
What are the key properties of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone?
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 257.75 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 65215593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).