8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one

C14H15N5O2S — CID 167977261

IUPAC8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
SMILESO=C1NCC(O)CC12CN(c1ccnc(-c3nccs3)n1)C2
InChIInChI=1S/C14H15N5O2S/c20-9-5-14(13(21)17-6-9)7-19(8-14)10-1-2-15-11(18-10)12-16-3-4-22-12/h1-4,9,20H,5-8H2,(H,17,21)
InChIKeyJTIBGKVBHDFVFF-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.29
Rot. Bonds2

About 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one

8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one (PubChem CID 167977261) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one.

Molecular Properties

Compound Name8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
PubChem CID167977261
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one
SMILESO=C1NCC(O)CC12CN(c1ccnc(-c3nccs3)n1)C2
InChIInChI=1S/C14H15N5O2S/c20-9-5-14(13(21)17-6-9)7-19(8-14)10-1-2-15-11(18-10)12-16-3-4-22-12/h1-4,9,20H,5-8H2,(H,17,21)
InChIKeyJTIBGKVBHDFVFF-UHFFFAOYSA-N
XLogP0.29
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The IUPAC name of 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one (CID 167977261) is 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one.
What is the SMILES notation for 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The canonical SMILES for 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one is O=C1NCC(O)CC12CN(c1ccnc(-c3nccs3)n1)C2.
What is the InChIKey of 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
The InChIKey is JTIBGKVBHDFVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c20-9-5-14(13(21)17-6-9)7-19(8-14)10-1-2-15-11(18-10)12-16-3-4-22-12/h1-4,9,20H,5-8H2,(H,17,21).
What are the key properties of 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one?
8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one has a molecular weight of 317.37 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2,6-diazaspiro[3.5]nonan-5-one is sourced from PubChem (CID 167977261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).