4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol

C10H14N2OS — CID 130942811

IUPAC4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(c2ccns2)CCN2CCC1C2
InChIInChI=1S/C10H14N2OS/c13-10(9-1-4-11-14-9)3-6-12-5-2-8(10)7-12/h1,4,8,13H,2-3,5-7H2
InChIKeyDQFOTFAJJJIPPE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.06
Rot. Bonds1

About 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol

4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 130942811) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID130942811
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(c2ccns2)CCN2CCC1C2
InChIInChI=1S/C10H14N2OS/c13-10(9-1-4-11-14-9)3-6-12-5-2-8(10)7-12/h1,4,8,13H,2-3,5-7H2
InChIKeyDQFOTFAJJJIPPE-UHFFFAOYSA-N
XLogP1.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-Thiazol-3-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 130642967
1-Piperidin-3-yl-1-(1,2-thiazol-5-yl)ethanol
CID 130914163
1-Methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130952205
3-Methyl-2-(1,2-thiazol-5-yl)butan-2-ol
CID 131003194
3-(1,2-Thiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 131015164
1,2-Dimethyl-4-(1,2-thiazol-5-yl)piperidin-4-ol
CID 131059679
1-Cyclopropyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 131062597
1,5-Dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 131150996
[(3s)-Pyrrolidin-3-yl](1,2-thiazol-5-yl)methanol
CID 164653630

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol (CID 130942811) is 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol is OC1(c2ccns2)CCN2CCC1C2.
What is the InChIKey of 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is DQFOTFAJJJIPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-10(9-1-4-11-14-9)3-6-12-5-2-8(10)7-12/h1,4,8,13H,2-3,5-7H2.
What are the key properties of 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 210.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 130942811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).