(5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C17H27N3O2S — CID 97384853

IUPAC(5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1csc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)n1
InChIInChI=1S/C17H27N3O2S/c1-7-21-8-2-15(1)20-5-3-17(13-20)12-19(6-9-22-14-17)11-16-18-4-10-23-16/h4,10,15H,1-3,5-9,11-14H2/t17-/m0/s1
InChIKeyZYIWHXAQLKOVSZ-KRWDZBQOSA-N
MW337.49 g/mol
LogP1.85
Rot. Bonds3

About (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384853) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384853
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1csc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)n1
InChIInChI=1S/C17H27N3O2S/c1-7-21-8-2-15(1)20-5-3-17(13-20)12-19(6-9-22-14-17)11-16-18-4-10-23-16/h4,10,15H,1-3,5-9,11-14H2/t17-/m0/s1
InChIKeyZYIWHXAQLKOVSZ-KRWDZBQOSA-N
XLogP1.85
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384853) is (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is c1csc(CN2CCOC[C@@]3(CCN(C4CCOCC4)C3)C2)n1.
What is the InChIKey of (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is ZYIWHXAQLKOVSZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-7-21-8-2-15(1)20-5-3-17(13-20)12-19(6-9-22-14-17)11-16-18-4-10-23-16/h4,10,15H,1-3,5-9,11-14H2/t17-/m0/s1.
What are the key properties of (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 337.49 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).