3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone

C10H13N3OS — CID 175882073

IUPAC3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1C2CCC1CNC2
InChIInChI=1S/C10H13N3OS/c14-10(9-12-3-4-15-9)13-7-1-2-8(13)6-11-5-7/h3-4,7-8,11H,1-2,5-6H2
InChIKeyLSYURNSUEALWEP-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.72
Rot. Bonds1

About 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone

3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone (PubChem CID 175882073) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone
PubChem CID175882073
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1C2CCC1CNC2
InChIInChI=1S/C10H13N3OS/c14-10(9-12-3-4-15-9)13-7-1-2-8(13)6-11-5-7/h3-4,7-8,11H,1-2,5-6H2
InChIKeyLSYURNSUEALWEP-UHFFFAOYSA-N
XLogP0.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone (CID 175882073) is 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)N1C2CCC1CNC2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone?
The InChIKey is LSYURNSUEALWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-10(9-12-3-4-15-9)13-7-1-2-8(13)6-11-5-7/h3-4,7-8,11H,1-2,5-6H2.
What are the key properties of 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone?
3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone has a molecular weight of 223.30 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octan-8-yl(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 175882073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).