5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane

C9H12N2OS — CID 58513737

IUPAC5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane
SMILESc1csc(C23CCN(CCO2)C3)n1
InChIInChI=1S/C9H12N2OS/c1-3-11-4-5-12-9(1,7-11)8-10-2-6-13-8/h2,6H,1,3-5,7H2
InChIKeyATBRRTIOOBVDQG-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.07
Rot. Bonds1

About 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane

5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane (PubChem CID 58513737) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane
PubChem CID58513737
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane
SMILESc1csc(C23CCN(CCO2)C3)n1
InChIInChI=1S/C9H12N2OS/c1-3-11-4-5-12-9(1,7-11)8-10-2-6-13-8/h2,6H,1,3-5,7H2
InChIKeyATBRRTIOOBVDQG-UHFFFAOYSA-N
XLogP1.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane (CID 58513737) is 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane is c1csc(C23CCN(CCO2)C3)n1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane?
The InChIKey is ATBRRTIOOBVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-3-11-4-5-12-9(1,7-11)8-10-2-6-13-8/h2,6H,1,3-5,7H2.
What are the key properties of 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane?
5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane has a molecular weight of 196.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)-4-oxa-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58513737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).