(4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol

C16H20N2O2S — CID 171357913

IUPAC(4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol
SMILESO[C@H]1CCN(Cc2csc(-c3ccoc3)n2)C12CCCC2
InChIInChI=1S/C16H20N2O2S/c19-14-3-7-18(16(14)5-1-2-6-16)9-13-11-21-15(17-13)12-4-8-20-10-12/h4,8,10-11,14,19H,1-3,5-7,9H2/t14-/m0/s1
InChIKeyUHPZTOBIGCHISL-AWEZNQCLSA-N
MW304.41 g/mol
LogP3.28
Rot. Bonds3

About (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol

(4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol (PubChem CID 171357913) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name(4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol
PubChem CID171357913
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name(4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol
SMILESO[C@H]1CCN(Cc2csc(-c3ccoc3)n2)C12CCCC2
InChIInChI=1S/C16H20N2O2S/c19-14-3-7-18(16(14)5-1-2-6-16)9-13-11-21-15(17-13)12-4-8-20-10-12/h4,8,10-11,14,19H,1-3,5-7,9H2/t14-/m0/s1
InChIKeyUHPZTOBIGCHISL-AWEZNQCLSA-N
XLogP3.28
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol?
The IUPAC name of (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol (CID 171357913) is (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol.
What is the SMILES notation for (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol?
The canonical SMILES for (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol is O[C@H]1CCN(Cc2csc(-c3ccoc3)n2)C12CCCC2.
What is the InChIKey of (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol?
The InChIKey is UHPZTOBIGCHISL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-14-3-7-18(16(14)5-1-2-6-16)9-13-11-21-15(17-13)12-4-8-20-10-12/h4,8,10-11,14,19H,1-3,5-7,9H2/t14-/m0/s1.
What are the key properties of (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol?
(4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol has a molecular weight of 304.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-1-azaspiro[4.4]nonan-4-ol is sourced from PubChem (CID 171357913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).