(1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol

C19H24N2OS — CID 162631960

IUPAC(1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccccc1-c1ncc(CN2[C@@H]3CCC[C@H]2CC(O)C3)s1
InChIInChI=1S/C19H24N2OS/c1-13-5-2-3-8-18(13)19-20-11-17(23-19)12-21-14-6-4-7-15(21)10-16(22)9-14/h2-3,5,8,11,14-16,22H,4,6-7,9-10,12H2,1H3/t14-,15+,16?
InChIKeyYUAJNMNOGIENIS-XYPWUTKMSA-N
MW328.48 g/mol
LogP4.00
Rot. Bonds3

About (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol

(1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 162631960) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID162631960
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccccc1-c1ncc(CN2[C@@H]3CCC[C@H]2CC(O)C3)s1
InChIInChI=1S/C19H24N2OS/c1-13-5-2-3-8-18(13)19-20-11-17(23-19)12-21-14-6-4-7-15(21)10-16(22)9-14/h2-3,5,8,11,14-16,22H,4,6-7,9-10,12H2,1H3/t14-,15+,16?
InChIKeyYUAJNMNOGIENIS-XYPWUTKMSA-N
XLogP4.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 162631960) is (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol is Cc1ccccc1-c1ncc(CN2[C@@H]3CCC[C@H]2CC(O)C3)s1.
What is the InChIKey of (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is YUAJNMNOGIENIS-XYPWUTKMSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-5-2-3-8-18(13)19-20-11-17(23-19)12-21-14-6-4-7-15(21)10-16(22)9-14/h2-3,5,8,11,14-16,22H,4,6-7,9-10,12H2,1H3/t14-,15+,16?.
What are the key properties of (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
(1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 328.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-9-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 162631960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).