2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol

C11H17N3OS — CID 97472802

IUPAC2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol
SMILESOCCN1CC2(CCN(c3nccs3)C2)C1
InChIInChI=1S/C11H17N3OS/c15-5-4-13-7-11(8-13)1-3-14(9-11)10-12-2-6-16-10/h2,6,15H,1,3-5,7-9H2
InChIKeyQCNUZUKHAJAWBG-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.65
Rot. Bonds3

About 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol

2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol (PubChem CID 97472802) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol.

Molecular Properties

Compound Name2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol
PubChem CID97472802
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol
SMILESOCCN1CC2(CCN(c3nccs3)C2)C1
InChIInChI=1S/C11H17N3OS/c15-5-4-13-7-11(8-13)1-3-14(9-11)10-12-2-6-16-10/h2,6,15H,1,3-5,7-9H2
InChIKeyQCNUZUKHAJAWBG-UHFFFAOYSA-N
XLogP0.65
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol?
The IUPAC name of 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol (CID 97472802) is 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol.
What is the SMILES notation for 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol?
The canonical SMILES for 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol is OCCN1CC2(CCN(c3nccs3)C2)C1.
What is the InChIKey of 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol?
The InChIKey is QCNUZUKHAJAWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-5-4-13-7-11(8-13)1-3-14(9-11)10-12-2-6-16-10/h2,6,15H,1,3-5,7-9H2.
What are the key properties of 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol?
2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol has a molecular weight of 239.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol is sourced from PubChem (CID 97472802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).