2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride

C11H17ClN2OS — CID 70203880

IUPAC2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride
SMILESCN1[C@@H]2CC[C@@H](C2)[C@@H]1COc1nccs1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-13-9-3-2-8(6-9)10(13)7-14-11-12-4-5-15-11;/h4-5,8-10H,2-3,6-7H2,1H3;1H/t8-,9+,10-;/m0./s1
InChIKeyDSQIQBCNCZTTHZ-JYNKJOSWSA-N
MW260.79 g/mol
LogP2.43
Rot. Bonds3

About 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride

2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride (PubChem CID 70203880) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride
PubChem CID70203880
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride
SMILESCN1[C@@H]2CC[C@@H](C2)[C@@H]1COc1nccs1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-13-9-3-2-8(6-9)10(13)7-14-11-12-4-5-15-11;/h4-5,8-10H,2-3,6-7H2,1H3;1H/t8-,9+,10-;/m0./s1
InChIKeyDSQIQBCNCZTTHZ-JYNKJOSWSA-N
XLogP2.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride (CID 70203880) is 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride is CN1[C@@H]2CC[C@@H](C2)[C@@H]1COc1nccs1.Cl.
What is the InChIKey of 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride?
The InChIKey is DSQIQBCNCZTTHZ-JYNKJOSWSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-13-9-3-2-8(6-9)10(13)7-14-11-12-4-5-15-11;/h4-5,8-10H,2-3,6-7H2,1H3;1H/t8-,9+,10-;/m0./s1.
What are the key properties of 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride?
2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methoxy]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 70203880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).