(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol

C21H28N2O2S — CID 58246469

IUPAC(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol
SMILESOC[C@H](O)CN1CCC(c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1
InChIInChI=1S/C21H28N2O2S/c24-13-19(25)12-23-9-7-16(8-10-23)21-22-20(14-26-21)18-6-5-15-3-1-2-4-17(15)11-18/h5-6,11,14,16,19,24-25H,1-4,7-10,12-13H2/t19-/m1/s1
InChIKeyLOUMCEWGACEFOX-LJQANCHMSA-N
MW372.53 g/mol
LogP3.22
Rot. Bonds5

About (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol

(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol (PubChem CID 58246469) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol
PubChem CID58246469
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol
SMILESOC[C@H](O)CN1CCC(c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1
InChIInChI=1S/C21H28N2O2S/c24-13-19(25)12-23-9-7-16(8-10-23)21-22-20(14-26-21)18-6-5-15-3-1-2-4-17(15)11-18/h5-6,11,14,16,19,24-25H,1-4,7-10,12-13H2/t19-/m1/s1
InChIKeyLOUMCEWGACEFOX-LJQANCHMSA-N
XLogP3.22
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol (CID 58246469) is (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol is OC[C@H](O)CN1CCC(c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1.
What is the InChIKey of (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol?
The InChIKey is LOUMCEWGACEFOX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O2S/c24-13-19(25)12-23-9-7-16(8-10-23)21-22-20(14-26-21)18-6-5-15-3-1-2-4-17(15)11-18/h5-6,11,14,16,19,24-25H,1-4,7-10,12-13H2/t19-/m1/s1.
What are the key properties of (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol?
(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol has a molecular weight of 372.53 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 58246469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).