2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

C14H21N3O2S — CID 70756336

IUPAC2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3nccs3)CC2)CN1CCO
InChIInChI=1S/C14H21N3O2S/c18-9-8-17-11-14(2-1-12(17)19)3-6-16(7-4-14)13-15-5-10-20-13/h5,10,18H,1-4,6-9,11H2
InChIKeyGHERXIWFVXMMNO-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.34
Rot. Bonds3

About 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70756336) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70756336
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3nccs3)CC2)CN1CCO
InChIInChI=1S/C14H21N3O2S/c18-9-8-17-11-14(2-1-12(17)19)3-6-16(7-4-14)13-15-5-10-20-13/h5,10,18H,1-4,6-9,11H2
InChIKeyGHERXIWFVXMMNO-UHFFFAOYSA-N
XLogP1.34
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70756336) is 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(c3nccs3)CC2)CN1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GHERXIWFVXMMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-9-8-17-11-14(2-1-12(17)19)3-6-16(7-4-14)13-15-5-10-20-13/h5,10,18H,1-4,6-9,11H2.
What are the key properties of 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 295.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70756336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).