[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol

C16H18N2O2S — CID 66371626

IUPAC[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CC3CCC(C2)O3)nc1-c1ccccc1
InChIInChI=1S/C16H18N2O2S/c19-10-14-15(11-4-2-1-3-5-11)17-16(21-14)18-8-12-6-7-13(9-18)20-12/h1-5,12-13,19H,6-10H2
InChIKeyVTDMFSHQOGOWEZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.67
Rot. Bonds3

About [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol

[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol (PubChem CID 66371626) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
PubChem CID66371626
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CC3CCC(C2)O3)nc1-c1ccccc1
InChIInChI=1S/C16H18N2O2S/c19-10-14-15(11-4-2-1-3-5-11)17-16(21-14)18-8-12-6-7-13(9-18)20-12/h1-5,12-13,19H,6-10H2
InChIKeyVTDMFSHQOGOWEZ-UHFFFAOYSA-N
XLogP2.67
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol (CID 66371626) is [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol is OCc1sc(N2CC3CCC(C2)O3)nc1-c1ccccc1.
What is the InChIKey of [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
The InChIKey is VTDMFSHQOGOWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-10-14-15(11-4-2-1-3-5-11)17-16(21-14)18-8-12-6-7-13(9-18)20-12/h1-5,12-13,19H,6-10H2.
What are the key properties of [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol?
[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol has a molecular weight of 302.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 66371626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).